N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide

C24H27N7O — CID 129096235

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 129096235) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide
• PubChem CID: 129096235
• Molecular Formula: C24H27N7O
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.23
• IUPAC Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide
• SMILES: Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3)cc2)nn1
• InChI: InChI=1S/C24H27N7O/c25-23-8-5-19-20(26-23)6-7-21(19)27-24(32)22-14-31(29-28-22)11-16-3-1-15(2-4-16)10-30-12-17-9-18(17)13-30/h1-5,8,14,17-18,21H,6-7,9-13H2,(H2,25,26)(H,27,32)
• InChIKey: QGGCGEHADOLTRH-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 101.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide?

The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide (CID 129096235) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide.

What is the SMILES notation for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3)cc2)nn1.

What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide?

The InChIKey is QGGCGEHADOLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c25-23-8-5-19-20(26-23)6-7-21(19)27-24(32)22-14-31(29-28-22)11-16-3-1-15(2-4-16)10-30-12-17-9-18(17)13-30/h1-5,8,14,17-18,21H,6-7,9-13H2,(H2,25,26)(H,27,32).

What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide?

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129096235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).