![3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile structure](/static/products/7824/782453-05-8.webp)
3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
TL;DR: 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (CAS 782453-05-8) is a chemical compound with molecular formula C26H31N7O2 and molecular weight 473.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Also Known As: 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile, 3-(1-adamantyl)-5,6-bis(azanyl)-2-oxidanylidene-8-(3-oxidanylpiperidin-1-yl)-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile, 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxy-1-piperidinyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile, 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidino)-2-keto-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile, 3-(Adamantan-1-yl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
| Molecular Formula | C26H31N7O2 |
|---|---|
| Molecular Weight | 473.25 g/mol |
| LogP | 2.48488 |
| Topological Polar Surface Area | 145.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 473.25394 |
| Heavy Atoms | 35 |
| Complexity | 1280.2081 |
Chemical Identifiers
| CAS Number | 782453-05-8 |
|---|---|
| SMILES | C1CC(CN(C1)C2=C(C3=C4CC(=O)N(C4=NC(=C3C(=N2)N)N)C56CC7CC(C5)CC(C7)C6)C#N)O |
Product Overview
3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile (CAS 782453-05-8), with molecular formula C26H31N7O2 and molecular weight 473.25 g/mol. IUPAC: 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile.
Chemical Property Profile of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Property Insights of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
The XLogP value of 2.48488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile. The TPSA of 145.39 Ų indicates high polarity, suggesting 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile has 3 hydrogen bond donor(s) and 8 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 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The CAS number of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is 782453-05-8.
What is the molecular formula of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The molecular formula of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is C26H31N7O2.
What is the molecular weight of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
The molecular weight of 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile is 473.25 g/mol.
Where can I buy 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
You can request a quote for 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-adamantyl)-5,6-diamino-8-(3-hydroxypiperidin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.