N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide

C24H26N8O2 — CID 129097149

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 129097149) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide
• PubChem CID: 129097149
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide
• SMILES: Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CCCN4C3=O)cc2)nn1
• InChI: InChI=1S/C24H26N8O2/c25-22-10-7-18-19(26-22)8-9-20(18)27-23(33)21-14-30(29-28-21)12-15-3-5-16(6-4-15)32-13-17-2-1-11-31(17)24(32)34/h3-7,10,14,17,20H,1-2,8-9,11-13H2,(H2,25,26)(H,27,33)
• InChIKey: MDOADLNDJCGNIR-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 122.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	2.13
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-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide?

The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide (CID 129097149) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-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-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide?

The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CCCN4C3=O)cc2)nn1.

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

The InChIKey is MDOADLNDJCGNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c25-22-10-7-18-19(26-22)8-9-20(18)27-23(33)21-14-30(29-28-21)12-15-3-5-16(6-4-15)32-13-17-2-1-11-31(17)24(32)34/h3-7,10,14,17,20H,1-2,8-9,11-13H2,(H2,25,26)(H,27,33).

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

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.13, 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-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129097149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).