2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide

C17H13ClN6O — CID 157014048

IUPAC2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide
SMILESCc1nc2c(NC(=O)c3cc(-n4cccn4)ccc3Cl)cccn2n1
InChIInChI=1S/C17H13ClN6O/c1-11-20-16-15(4-2-8-24(16)22-11)21-17(25)13-10-12(5-6-14(13)18)23-9-3-7-19-23/h2-10H,1H3,(H,21,25)
InChIKeyVVGJWEVZVGWPOS-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide

2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide (PubChem CID 157014048) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide
PubChem CID157014048
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide
SMILESCc1nc2c(NC(=O)c3cc(-n4cccn4)ccc3Cl)cccn2n1
InChIInChI=1S/C17H13ClN6O/c1-11-20-16-15(4-2-8-24(16)22-11)21-17(25)13-10-12(5-6-14(13)18)23-9-3-7-19-23/h2-10H,1H3,(H,21,25)
InChIKeyVVGJWEVZVGWPOS-UHFFFAOYSA-N
XLogP3.13
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide (CID 157014048) is 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide is Cc1nc2c(NC(=O)c3cc(-n4cccn4)ccc3Cl)cccn2n1.
What is the InChIKey of 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide?
The InChIKey is VVGJWEVZVGWPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-11-20-16-15(4-2-8-24(16)22-11)21-17(25)13-10-12(5-6-14(13)18)23-9-3-7-19-23/h2-10H,1H3,(H,21,25).
What are the key properties of 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide?
2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide has a molecular weight of 352.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 157014048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).