2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C26H17ClF3N7O — CID 86708103

About 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 86708103) has the molecular formula C26H17ClF3N7O and a molecular weight of 535.92 g/mol. Its IUPAC name is 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
• PubChem CID: 86708103
• Molecular Formula: C26H17ClF3N7O
• Molecular Weight: 535.92 g/mol
• Exact Mass: 535.11
• IUPAC Name: 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCl)nc2c1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C26H17ClF3N7O/c1-15-20(21-9-10-32-37(21)19-7-5-16(13-31)6-8-19)14-36-24(34-25(35-36)33-22(38)12-27)23(15)17-3-2-4-18(11-17)26(28,29)30/h2-11,14H,12H2,1H3,(H,33,35,38)
• InChIKey: QKGMFTXBWPKUIP-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 100.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.92
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The IUPAC name of 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 86708103) is 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

What is the SMILES notation for 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The canonical SMILES for 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cn2nc(NC(=O)CCl)nc2c1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

The InChIKey is QKGMFTXBWPKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3N7O/c1-15-20(21-9-10-32-37(21)19-7-5-16(13-31)6-8-19)14-36-24(34-25(35-36)33-22(38)12-27)23(15)17-3-2-4-18(11-17)26(28,29)30/h2-11,14H,12H2,1H3,(H,33,35,38).

What are the key properties of 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?

2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 535.92 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[6-[2-(4-cyanophenyl)pyrazol-3-yl]-7-methyl-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 86708103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).