7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one

C26H23F4N5O — CID 174277372

About 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one

7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174277372) has the molecular formula C26H23F4N5O and a molecular weight of 497.50 g/mol. Its IUPAC name is 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 174277372
• Molecular Formula: C26H23F4N5O
• Molecular Weight: 497.50 g/mol
• Exact Mass: 497.18
• IUPAC Name: 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one
• SMILES: Cc1c(N2CCC(c3cc4nccnc4n(Cc4ccccc4C(F)(F)F)c3=O)CC2)ccnc1F
• InChI: InChI=1S/C26H23F4N5O/c1-16-22(6-9-32-23(16)27)34-12-7-17(8-13-34)19-14-21-24(33-11-10-31-21)35(25(19)36)15-18-4-2-3-5-20(18)26(28,29)30/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3
• InChIKey: IVXZNHXGZSSSQP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174277372) is 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1c(N2CCC(c3cc4nccnc4n(Cc4ccccc4C(F)(F)F)c3=O)CC2)ccnc1F.

What is the InChIKey of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?

The InChIKey is IVXZNHXGZSSSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O/c1-16-22(6-9-32-23(16)27)34-12-7-17(8-13-34)19-14-21-24(33-11-10-31-21)35(25(19)36)15-18-4-2-3-5-20(18)26(28,29)30/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3.

What are the key properties of 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one?

7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 497.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2-fluoro-3-methyl-4-pyridinyl)piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174277372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).