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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid

C40H43N13O5 — CID 159483989

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid (PubChem CID 159483989) has the molecular formula C40H43N13O5 and a molecular weight of 785.87 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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid.

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid
• PubChem CID: 159483989
• Molecular Formula: C40H43N13O5
• Molecular Weight: 785.87 g/mol
• Exact Mass: 785.35
• 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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid
• SMILES: Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CCCN4C3=O)cc2)nn1.O=C(O)c1cn(Cc2ccc(N3CC4CCCN4C3=O)cc2)nn1
• InChI: InChI=1S/C24H26N8O2.C16H17N5O3/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;22-15(23)14-10-19(18-17-14)8-11-3-5-12(6-4-11)21-9-13-2-1-7-20(13)16(21)24/h3-7,10,14,17,20H,1-2,8-9,11-13H2,(H2,25,26)(H,27,33);3-6,10,13H,1-2,7-9H2,(H,22,23)
• InChIKey: LXIUVIFWGVIQMM-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 213.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.87
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid?

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid (CID 159483989) 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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid.

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid?

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(N3CC4CCCN4C3=O)cc2)nn1.O=C(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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid?

The InChIKey is LXIUVIFWGVIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C16H17N5O3/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;22-15(23)14-10-19(18-17-14)8-11-3-5-12(6-4-11)21-9-13-2-1-7-20(13)16(21)24/h3-7,10,14,17,20H,1-2,8-9,11-13H2,(H2,25,26)(H,27,33);3-6,10,13H,1-2,7-9H2,(H,22,23).

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid?

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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid has a molecular weight of 785.87 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 12 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;1-[[4-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)phenyl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 159483989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).