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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid

C42H45N11O5 — CID 160891792

IUPACN-(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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1.O=C(O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1
InChIInChI=1S/C25H27N7O2.C17H18N4O3/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/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33);1-4,11H,5-10H2,(H,22,23)
InChIKeySOJDFKCEYGFNJT-UHFFFAOYSA-N
MW783.89 g/mol
LogP3.77
Rot. Bonds11

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;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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid (PubChem CID 160891792) has the molecular formula C42H45N11O5 and a molecular weight of 783.89 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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound NameN-(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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
PubChem CID160891792
Molecular FormulaC42H45N11O5
Molecular Weight783.89 g/mol
Exact Mass783.36
IUPAC NameN-(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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1.O=C(O)c1cn(Cc2ccc(CN3CCC4(CC4)C3=O)cc2)nn1
InChIInChI=1S/C25H27N7O2.C17H18N4O3/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/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33);1-4,11H,5-10H2,(H,22,23)
InChIKeySOJDFKCEYGFNJT-UHFFFAOYSA-N
XLogP3.77
TPSA207.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.89
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid (CID 160891792) 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;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;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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid is 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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid?
The InChIKey is SOJDFKCEYGFNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C17H18N4O3/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/h1-5,8,15,20H,6-7,9-14H2,(H2,26,27)(H,28,33);1-4,11H,5-10H2,(H,22,23).
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;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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid has a molecular weight of 783.89 g/mol, XLogP of 3.77, 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;1-[[4-[(4-oxo-5-azaspiro[2.4]heptan-5-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 160891792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).