7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

C27H21F2N7O — CID 146277122

About 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide

7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (PubChem CID 146277122) has the molecular formula C27H21F2N7O and a molecular weight of 497.51 g/mol. Its IUPAC name is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
• PubChem CID: 146277122
• Molecular Formula: C27H21F2N7O
• Molecular Weight: 497.51 g/mol
• Exact Mass: 497.18
• IUPAC Name: 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
• SMILES: Cc1cccc(-c2nnc(C3CC(NC(=O)c4cc(F)cc5nccnc45)C3)n2-c2ccccc2F)n1
• InChI: InChI=1S/C27H21F2N7O/c1-15-5-4-7-21(32-15)26-35-34-25(36(26)23-8-3-2-6-20(23)29)16-11-18(12-16)33-27(37)19-13-17(28)14-22-24(19)31-10-9-30-22/h2-10,13-14,16,18H,11-12H2,1H3,(H,33,37)
• InChIKey: UWNKZBUDGFPCIJ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.51
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?

The IUPAC name of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide (CID 146277122) is 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide.

What is the SMILES notation for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?

The canonical SMILES for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is Cc1cccc(-c2nnc(C3CC(NC(=O)c4cc(F)cc5nccnc45)C3)n2-c2ccccc2F)n1.

What is the InChIKey of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?

The InChIKey is UWNKZBUDGFPCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O/c1-15-5-4-7-21(32-15)26-35-34-25(36(26)23-8-3-2-6-20(23)29)16-11-18(12-16)33-27(37)19-13-17(28)14-22-24(19)31-10-9-30-22/h2-10,13-14,16,18H,11-12H2,1H3,(H,33,37).

What are the key properties of 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide?

7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 146277122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).