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

C24H25N7O2 — CID 129097165

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)methyl]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)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 129097165) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 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)methyl]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)methyl]phenyl]methyl]triazole-4-carboxamide
• PubChem CID: 129097165
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• 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)methyl]phenyl]methyl]triazole-4-carboxamide
• SMILES: Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=O)cc2)nn1
• InChI: InChI=1S/C24H25N7O2/c25-22-8-5-17-19(26-22)6-7-20(17)27-23(32)21-13-31(29-28-21)11-15-3-1-14(2-4-15)10-30-12-16-9-18(16)24(30)33/h1-5,8,13,16,18,20H,6-7,9-12H2,(H2,25,26)(H,27,32)
• InChIKey: GRFARHPNXOLKHB-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 119.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
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)methyl]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)methyl]phenyl]methyl]triazole-4-carboxamide (CID 129097165) 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)methyl]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)methyl]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)methyl]phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CC4CC4C3=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)methyl]phenyl]methyl]triazole-4-carboxamide?

The InChIKey is GRFARHPNXOLKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c25-22-8-5-17-19(26-22)6-7-20(17)27-23(32)21-13-31(29-28-21)11-15-3-1-14(2-4-15)10-30-12-16-9-18(16)24(30)33/h1-5,8,13,16,18,20H,6-7,9-12H2,(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-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]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)methyl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 1.70, 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-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129097165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).