N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide

C23H18F2N4O — CID 25059579

IUPACN-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3c(F)cccc3F)nnc2c1
InChIInChI=1S/C23H18F2N4O/c1-13-5-6-15(23(30)26-16-7-8-16)11-17(13)14-9-10-29-20(12-14)27-28-22(29)21-18(24)3-2-4-19(21)25/h2-6,9-12,16H,7-8H2,1H3,(H,26,30)
InChIKeyODZFDXUMFJMPJG-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.54
Rot. Bonds4

About N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide

N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 25059579) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID25059579
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC NameN-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3c(F)cccc3F)nnc2c1
InChIInChI=1S/C23H18F2N4O/c1-13-5-6-15(23(30)26-16-7-8-16)11-17(13)14-9-10-29-20(12-14)27-28-22(29)21-18(24)3-2-4-19(21)25/h2-6,9-12,16H,7-8H2,1H3,(H,26,30)
InChIKeyODZFDXUMFJMPJG-UHFFFAOYSA-N
XLogP4.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 25059579) is N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccn2c(-c3c(F)cccc3F)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is ODZFDXUMFJMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-13-5-6-15(23(30)26-16-7-8-16)11-17(13)14-9-10-29-20(12-14)27-28-22(29)21-18(24)3-2-4-19(21)25/h2-6,9-12,16H,7-8H2,1H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 404.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 25059579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).