N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

C22H23FN4O2 — CID 25060362

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

N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 25060362) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
• PubChem CID: 25060362
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
• SMILES: Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1
• InChI: InChI=1S/C22H23FN4O2/c1-13-18(10-16(11-19(13)23)22(28)24-17-2-3-17)15-4-7-27-20(12-15)25-26-21(27)14-5-8-29-9-6-14/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3,(H,24,28)
• InChIKey: UQAUVNGZYFVFSB-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?

The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 25060362) is N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?

The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C3CCOCC3)nnc2c1.

What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?

The InChIKey is UQAUVNGZYFVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-13-18(10-16(11-19(13)23)22(28)24-17-2-3-17)15-4-7-27-20(12-15)25-26-21(27)14-5-8-29-9-6-14/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3,(H,24,28).

What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?

N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 394.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 25060362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).