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

C25H24F4N6O — CID 176552779

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

7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 176552779) has the molecular formula C25H24F4N6O and a molecular weight of 500.50 g/mol. Its IUPAC name is 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 176552779
• Molecular Formula: C25H24F4N6O
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.19
• IUPAC Name: 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one
• SMILES: CC1=CCCC(F)=C1N1CCC(c2cc3nccnc3n(Cc3cncnc3C(F)(F)F)c2=O)CC1
• InChI: InChI=1S/C25H24F4N6O/c1-15-3-2-4-19(26)21(15)34-9-5-16(6-10-34)18-11-20-23(32-8-7-31-20)35(24(18)36)13-17-12-30-14-33-22(17)25(27,28)29/h3,7-8,11-12,14,16H,2,4-6,9-10,13H2,1H3
• InChIKey: MBJJNZJLZQDYKE-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 176552779) is 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one.

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

The canonical SMILES for 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one is CC1=CCCC(F)=C1N1CCC(c2cc3nccnc3n(Cc3cncnc3C(F)(F)F)c2=O)CC1.

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

The InChIKey is MBJJNZJLZQDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O/c1-15-3-2-4-19(26)21(15)34-9-5-16(6-10-34)18-11-20-23(32-8-7-31-20)35(24(18)36)13-17-12-30-14-33-22(17)25(27,28)29/h3,7-8,11-12,14,16H,2,4-6,9-10,13H2,1H3.

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

7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 500.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-yl]-5-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 176552779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).