6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide

C24H16N6O — CID 144793337

About 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide

6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 144793337) has the molecular formula C24H16N6O and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 144793337
• Molecular Formula: C24H16N6O
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.14
• IUPAC Name: 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: N#Cc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#CC2CCc3cccnc32)c1
• InChI: InChI=1S/C24H16N6O/c25-13-18-12-21-20(14-28-18)23(24(26)31)29-30(21)19-5-1-3-15(11-19)6-7-17-9-8-16-4-2-10-27-22(16)17/h1-5,10-12,14,17H,8-9H2,(H2,26,31)
• InChIKey: XYCGIIYATSUDLU-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 110.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide (CID 144793337) is 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide is N#Cc1cc2c(cn1)c(C(N)=O)nn2-c1cccc(C#CC2CCc3cccnc32)c1.

What is the InChIKey of 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is XYCGIIYATSUDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O/c25-13-18-12-21-20(14-28-18)23(24(26)31)29-30(21)19-5-1-3-15(11-19)6-7-17-9-8-16-4-2-10-27-22(16)17/h1-5,10-12,14,17H,8-9H2,(H2,26,31).

What are the key properties of 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide?

6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyano-1-[3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 144793337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).