3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide

C21H21FN4O — CID 25060359

IUPAC3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27)
InChIKeyMCBRIRDRFHFZOR-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.00
Rot. Bonds4

About 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 25060359) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID25060359
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27)
InChIKeyMCBRIRDRFHFZOR-UHFFFAOYSA-N
XLogP4.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 25060359) is 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCC3)nnc2c1.
What is the InChIKey of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is MCBRIRDRFHFZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27).
What are the key properties of 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 25060359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).