![N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide structure](/static/products/879/879471-96-2.png)
N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
TL;DR: N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide (CAS 879471-96-2) is a chemical compound with molecular formula C20H13F4N5O3S and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Also Known As: N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide, N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide, N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
| Molecular Formula | C20H13F4N5O3S |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 2.62799 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.06754 |
| Heavy Atoms | 33 |
| Complexity | 1369.6781 |
Chemical Identifiers
| CAS Number | 879471-96-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)CN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)F |
Product Overview
N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide (CAS 879471-96-2), with molecular formula C20H13F4N5O3S and molecular weight 479.07 g/mol. IUPAC: N-[4,6-dioxo-1-(pyridin-2-ylmethyl)-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide.
Chemical Property Profile of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
Property Insights of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide
The XLogP value of 2.62799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide has 3 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 N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The CAS number of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is 879471-96-2.
What is the molecular formula of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The molecular formula of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is C20H13F4N5O3S.
What is the molecular weight of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
The molecular weight of N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide is 479.07 g/mol.
Where can I buy N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
You can request a quote for N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dioxo-1-(pyridin-2-ylmethyl)-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.