5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C20H16ClN5O — CID 23552552

IUPAC5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2Cl)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O/c21-16-9-5-4-8-14(16)12-23-20(27)15-10-17(22)26-18(11-15)24-19(25-26)13-6-2-1-3-7-13/h1-11H,12,22H2,(H,23,27)
InChIKeyFAFPFRZKMUPKHB-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.56
Rot. Bonds4

About 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552552) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552552
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2Cl)cc2nc(-c3ccccc3)nn12
InChIInChI=1S/C20H16ClN5O/c21-16-9-5-4-8-14(16)12-23-20(27)15-10-17(22)26-18(11-15)24-19(25-26)13-6-2-1-3-7-13/h1-11H,12,22H2,(H,23,27)
InChIKeyFAFPFRZKMUPKHB-UHFFFAOYSA-N
XLogP3.56
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide 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 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552552) is 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is Nc1cc(C(=O)NCc2ccccc2Cl)cc2nc(-c3ccccc3)nn12.
What is the InChIKey of 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is FAFPFRZKMUPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-16-9-5-4-8-14(16)12-23-20(27)15-10-17(22)26-18(11-15)24-19(25-26)13-6-2-1-3-7-13/h1-11H,12,22H2,(H,23,27).
What are the key properties of 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).