7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one

C26H23F4N5O — CID 174279013

About 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one

7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174279013) has the molecular formula C26H23F4N5O and a molecular weight of 497.50 g/mol. Its IUPAC name is 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 174279013
• Molecular Formula: C26H23F4N5O
• Molecular Weight: 497.50 g/mol
• Exact Mass: 497.18
• IUPAC Name: 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one
• SMILES: Cc1cnc2cc([C@H]3CC[C@@H](c4c(C)cccc4F)C3)c(=O)n(Cc3nccnc3C(F)(F)F)c2n1
• InChI: InChI=1S/C26H23F4N5O/c1-14-4-3-5-19(27)22(14)17-7-6-16(10-17)18-11-20-24(34-15(2)12-33-20)35(25(18)36)13-21-23(26(28,29)30)32-9-8-31-21/h3-5,8-9,11-12,16-17H,6-7,10,13H2,1-2H3/t16-,17+/m0/s1
• InChIKey: IQUBJOWMGZBLEH-DLBZAZTESA-N
• XLogP: 5.46
• TPSA: 73.56 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	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174279013) is 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc([C@H]3CC[C@@H](c4c(C)cccc4F)C3)c(=O)n(Cc3nccnc3C(F)(F)F)c2n1.

What is the InChIKey of 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?

The InChIKey is IQUBJOWMGZBLEH-DLBZAZTESA-N. The full InChI is InChI=1S/C26H23F4N5O/c1-14-4-3-5-19(27)22(14)17-7-6-16(10-17)18-11-20-24(34-15(2)12-33-20)35(25(18)36)13-21-23(26(28,29)30)32-9-8-31-21/h3-5,8-9,11-12,16-17H,6-7,10,13H2,1-2H3/t16-,17+/m0/s1.

What are the key properties of 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one?

7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 497.50 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1S,3R)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174279013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).