6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C15H13N7OS — CID 121263177

IUPAC6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cc(C)[nH]n3)cn3cnnc23)n1
InChIInChI=1S/C15H13N7OS/c1-8-3-12(20-19-8)10-4-11(13-21-16-7-22(13)5-10)14(23)18-15-17-9(2)6-24-15/h3-7H,1-2H3,(H,19,20)(H,17,18,23)
InChIKeyZMRBYOMGOXWWSY-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.45
Rot. Bonds3

About 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 121263177) has the molecular formula C15H13N7OS and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID121263177
Molecular FormulaC15H13N7OS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3cc(C)[nH]n3)cn3cnnc23)n1
InChIInChI=1S/C15H13N7OS/c1-8-3-12(20-19-8)10-4-11(13-21-16-7-22(13)5-10)14(23)18-15-17-9(2)6-24-15/h3-7H,1-2H3,(H,19,20)(H,17,18,23)
InChIKeyZMRBYOMGOXWWSY-UHFFFAOYSA-N
XLogP2.45
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 121263177) is 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1csc(NC(=O)c2cc(-c3cc(C)[nH]n3)cn3cnnc23)n1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is ZMRBYOMGOXWWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7OS/c1-8-3-12(20-19-8)10-4-11(13-21-16-7-22(13)5-10)14(23)18-15-17-9(2)6-24-15/h3-7H,1-2H3,(H,19,20)(H,17,18,23).
What are the key properties of 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 121263177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).