3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

C29H26F6N4O — CID 174279647

About 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one

3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174279647) has the molecular formula C29H26F6N4O and a molecular weight of 560.54 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 174279647
• Molecular Formula: C29H26F6N4O
• Molecular Weight: 560.54 g/mol
• Exact Mass: 560.20
• IUPAC Name: 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
• SMILES: Cc1cccc(F)c1C1CCC(c2cc3ncc(C(C)(F)F)nc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
• InChI: InChI=1S/C29H26F6N4O/c1-16-5-3-7-21(30)25(16)18-10-8-17(9-11-18)19-13-22-26(38-24(14-37-22)28(2,31)32)39(27(19)40)15-23-20(29(33,34)35)6-4-12-36-23/h3-7,12-14,17-18H,8-11,15H2,1-2H3
• InChIKey: BIRVJCMEAMERQU-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 60.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.54
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174279647) is 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

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

The canonical SMILES for 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1cccc(F)c1C1CCC(c2cc3ncc(C(C)(F)F)nc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1.

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

The InChIKey is BIRVJCMEAMERQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O/c1-16-5-3-7-21(30)25(16)18-10-8-17(9-11-18)19-13-22-26(38-24(14-37-22)28(2,31)32)39(27(19)40)15-23-20(29(33,34)35)6-4-12-36-23/h3-7,12-14,17-18H,8-11,15H2,1-2H3.

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

3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 560.54 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174279647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).