![4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide structure](/static/products/1005/1005606-94-9.webp)
4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
TL;DR: 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CAS 1005606-94-9) is a chemical compound with molecular formula C16H13ClF3N5O2S and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-methyl-N-(10-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide, 4-CHLORO-1-METHYL-N-[2-METHYL-4-OXO-6,7-DIHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-3(5H)-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, 4-chloro-2-methyl-N-(3-methyl-1-oxo-7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
| Molecular Formula | C16H13ClF3N5O2S |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 3.04472 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 431.04306 |
| Heavy Atoms | 28 |
| Complexity | 1194.0397 |
Chemical Identifiers
| CAS Number | 1005606-94-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1NC(=O)C4=C(C(=NN4C)C(F)(F)F)Cl |
Product Overview
4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CAS 1005606-94-9), with molecular formula C16H13ClF3N5O2S and molecular weight 431.04 g/mol. IUPAC: 4-chloro-1-methyl-N-(10-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
Chemical Property Profile of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Property Insights of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
The XLogP value of 3.04472 indicates that 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The CAS number of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 1005606-94-9.
What is the molecular formula of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The molecular formula of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is C16H13ClF3N5O2S.
What is the molecular weight of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The molecular weight of 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide is 431.04 g/mol.
Where can I buy 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
You can request a quote for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-methyl-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.