3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide

C23H19ClN4O — CID 25057809

IUPAC3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29)
InChIKeyCAVYZTGDCNYJTP-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.92
Rot. Bonds4

About 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide

3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 25057809) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID25057809
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29)
InChIKeyCAVYZTGDCNYJTP-UHFFFAOYSA-N
XLogP4.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide (CID 25057809) is 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3ccccc3Cl)nnc2c1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is CAVYZTGDCNYJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29).
What are the key properties of 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide?
3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 402.89 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 25057809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).