5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C23H18F2N6O — CID 146277089

About 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146277089) has the molecular formula C23H18F2N6O and a molecular weight of 432.43 g/mol. Its IUPAC name is 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• PubChem CID: 146277089
• Molecular Formula: C23H18F2N6O
• Molecular Weight: 432.43 g/mol
• Exact Mass: 432.15
• IUPAC Name: 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
• SMILES: O=C(NC1CC(c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1ccc(F)cn1
• InChI: InChI=1S/C23H18F2N6O/c24-15-8-9-19(27-13-15)23(32)28-16-11-14(12-16)21-29-30-22(18-6-3-4-10-26-18)31(21)20-7-2-1-5-17(20)25/h1-10,13-14,16H,11-12H2,(H,28,32)
• InChIKey: SVDUOSYBBYZAAB-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.43
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The IUPAC name of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146277089) is 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The canonical SMILES for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1ccc(F)cn1.

What is the InChIKey of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

The InChIKey is SVDUOSYBBYZAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N6O/c24-15-8-9-19(27-13-15)23(32)28-16-11-14(12-16)21-29-30-22(18-6-3-4-10-26-18)31(21)20-7-2-1-5-17(20)25/h1-10,13-14,16H,11-12H2,(H,28,32).

What are the key properties of 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?

5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146277089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).