N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H23N7O — CID 70929698

IUPACN-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cccc(CN2CCN(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)c1
InChIInChI=1S/C22H23N7O/c23-14-16-3-1-4-17(13-16)15-27-9-11-28(12-10-27)20-6-2-5-19-24-22(26-29(19)20)25-21(30)18-7-8-18/h1-6,13,18H,7-12,15H2,(H,25,26,30)
InChIKeyGLEUCQGQNCVMBT-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.27
Rot. Bonds5

About N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 70929698) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID70929698
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cccc(CN2CCN(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)c1
InChIInChI=1S/C22H23N7O/c23-14-16-3-1-4-17(13-16)15-27-9-11-28(12-10-27)20-6-2-5-19-24-22(26-29(19)20)25-21(30)18-7-8-18/h1-6,13,18H,7-12,15H2,(H,25,26,30)
InChIKeyGLEUCQGQNCVMBT-UHFFFAOYSA-N
XLogP2.27
TPSA89.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 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-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 70929698) is N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cccc(CN2CCN(c3cccc4nc(NC(=O)C5CC5)nn34)CC2)c1.
What is the InChIKey of N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is GLEUCQGQNCVMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c23-14-16-3-1-4-17(13-16)15-27-9-11-28(12-10-27)20-6-2-5-19-24-22(26-29(19)20)25-21(30)18-7-8-18/h1-6,13,18H,7-12,15H2,(H,25,26,30).
What are the key properties of N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70929698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).