N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid

C44H51N11O5 — CID 145301646

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid (PubChem CID 145301646) has the molecular formula C44H51N11O5 and a molecular weight of 813.96 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
• PubChem CID: 145301646
• Molecular Formula: C44H51N11O5
• Molecular Weight: 813.96 g/mol
• Exact Mass: 813.41
• IUPAC Name: N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
• SMILES: CC.Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1.O=C(O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1
• InChI: InChI=1S/C25H27N7O2.C17H18N4O3.C2H6/c26-22-8-5-18-19(27-22)6-7-20(18)28-23(33)21-15-32(30-29-21)14-17-3-1-16(2-4-17)13-31-12-11-25(9-10-25)24(31)34;22-15(23)14-11-21(19-18-14)10-13-3-1-12(2-4-13)9-20-8-7-17(5-6-17)16(20)24;1-2/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33);1-4,11H,5-10H2,(H,22,23);1-2H3
• InChIKey: QDIZFLQVAZHHTG-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 207.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.96
LogP ≤ 5	4.80
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-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid?

The IUPAC name of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid (CID 145301646) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]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-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid?

The canonical SMILES for N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid is CC.Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1.O=C(O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1.

What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid?

The InChIKey is QDIZFLQVAZHHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C17H18N4O3.C2H6/c26-22-8-5-18-19(27-22)6-7-20(18)28-23(33)21-15-32(30-29-21)14-17-3-1-16(2-4-17)13-31-12-11-25(9-10-25)24(31)34;22-15(23)14-11-21(19-18-14)10-13-3-1-12(2-4-13)9-20-8-7-17(5-6-17)16(20)24;1-2/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33);1-4,11H,5-10H2,(H,22,23);1-2H3.

What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid?

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid has a molecular weight of 813.96 g/mol, XLogP of 4.80, 11 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-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxamide;ethane;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 145301646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).