3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H15ClN4OS — CID 134796500

IUPAC3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nnc(Cc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C19H15ClN4OS/c20-15-6-3-13(4-7-15)10-18-23-22-17-8-5-14(12-24(17)18)19(25)21-11-16-2-1-9-26-16/h1-9,12H,10-11H2,(H,21,25)
InChIKeyPGOZNHYJBLYPAK-UHFFFAOYSA-N
MW382.88 g/mol
LogP3.96
Rot. Bonds5

About 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134796500) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134796500
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2nnc(Cc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C19H15ClN4OS/c20-15-6-3-13(4-7-15)10-18-23-22-17-8-5-14(12-24(17)18)19(25)21-11-16-2-1-9-26-16/h1-9,12H,10-11H2,(H,21,25)
InChIKeyPGOZNHYJBLYPAK-UHFFFAOYSA-N
XLogP3.96
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 979718
CID 979718
CID 2622550
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CID 979726
CID 979726
CID 979730
CID 979730
CID 44590560
CID 44590560
CID 44590641
CID 44590641
CID 7708291
CID 7708291
CID 30848925
CID 30848925
CID 7693466
CID 7693466
CID 7694192
CID 7694192
CID 7708113
CID 7708113
CID 44590642
CID 44590642

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134796500) is 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccs1)c1ccc2nnc(Cc3ccc(Cl)cc3)n2c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is PGOZNHYJBLYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c20-15-6-3-13(4-7-15)10-18-23-22-17-8-5-14(12-24(17)18)19(25)21-11-16-2-1-9-26-16/h1-9,12H,10-11H2,(H,21,25).
What are the key properties of 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134796500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).