4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C17H13ClN6O — CID 165415037

IUPAC4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H13ClN6O/c1-23-15(13(18)10-19-23)17(25)20-12-7-8-24-14(9-12)21-16(22-24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,25)
InChIKeyUNQNZNJJDGKXQY-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 165415037) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID165415037
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C17H13ClN6O/c1-23-15(13(18)10-19-23)17(25)20-12-7-8-24-14(9-12)21-16(22-24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,25)
InChIKeyUNQNZNJJDGKXQY-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 165415037) is 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is UNQNZNJJDGKXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-23-15(13(18)10-19-23)17(25)20-12-7-8-24-14(9-12)21-16(22-24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,25).
What are the key properties of 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).