N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide

C25H27N7O2 — CID 129097300

IUPACN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C25H27N7O2/c26-23-10-7-18-20(27-23)8-9-21(18)28-24(33)22-14-31(30-29-22)13-15-3-5-16(6-4-15)19-12-17-2-1-11-32(17)25(19)34/h3-7,10,14,17,19,21H,1-2,8-9,11-13H2,(H2,26,27)(H,28,33)
InChIKeyQJBIDCRGSYPQSF-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.20
Rot. Bonds5

About N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide

N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 129097300) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide
PubChem CID129097300
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide
SMILESNc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1
InChIInChI=1S/C25H27N7O2/c26-23-10-7-18-20(27-23)8-9-21(18)28-24(33)22-14-31(30-29-22)13-15-3-5-16(6-4-15)19-12-17-2-1-11-32(17)25(19)34/h3-7,10,14,17,19,21H,1-2,8-9,11-13H2,(H2,26,27)(H,28,33)
InChIKeyQJBIDCRGSYPQSF-UHFFFAOYSA-N
XLogP2.20
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide with MolForge

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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-1,2,5,6,7,8-hexahydropyrrolizin-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-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide (CID 129097300) is N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-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-1,2,5,6,7,8-hexahydropyrrolizin-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-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide is Nc1ccc2c(n1)CCC2NC(=O)c1cn(Cc2ccc(C3CC4CCCN4C3=O)cc2)nn1.
What is the InChIKey of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is QJBIDCRGSYPQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c26-23-10-7-18-20(27-23)8-9-21(18)28-24(33)22-14-31(30-29-22)13-15-3-5-16(6-4-15)19-12-17-2-1-11-32(17)25(19)34/h3-7,10,14,17,19,21H,1-2,8-9,11-13H2,(H2,26,27)(H,28,33).
What are the key properties of N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide?
N-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)-1-[[4-(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 457.54 g/mol, XLogP of 2.20, 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-1,2,5,6,7,8-hexahydropyrrolizin-2-yl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 129097300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).