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

C23H23N7O2 — CID 129098682

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

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 129098682) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide
• PubChem CID: 129098682
• Molecular Formula: C23H23N7O2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.19
• IUPAC Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide
• SMILES: Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3=O)cc2)nn1
• InChI: InChI=1S/C23H23N7O2/c24-21-8-5-16-18(25-21)6-7-19(16)26-22(31)20-12-29(28-27-20)10-13-1-3-15(4-2-13)30-11-14-9-17(14)23(30)32/h1-5,8,12,14,17,19H,6-7,9-11H2,(H2,24,25)(H,26,31)
• InChIKey: LRUYZXLPGJKLII-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 119.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	1.70
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-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide?

The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide (CID 129098682) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)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-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CC4C3=O)cc2)nn1.

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

The InChIKey is LRUYZXLPGJKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-21-8-5-16-18(25-21)6-7-19(16)26-22(31)20-12-29(28-27-20)10-13-1-3-15(4-2-13)30-11-14-9-17(14)23(30)32/h1-5,8,12,14,17,19H,6-7,9-11H2,(H2,24,25)(H,26,31).

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

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 1.70, 5 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-(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129098682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).