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

C25H20F6N6O — CID 174277659

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

5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174277659) has the molecular formula C25H20F6N6O and a molecular weight of 534.46 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
• PubChem CID: 174277659
• Molecular Formula: C25H20F6N6O
• Molecular Weight: 534.46 g/mol
• Exact Mass: 534.16
• IUPAC Name: 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
• SMILES: O=c1c(C2CCN(c3cnccc3C(F)(F)F)CC2)cc2nccnc2n1Cc1ncccc1C(F)(F)F
• InChI: InChI=1S/C25H20F6N6O/c26-24(27,28)17-2-1-6-33-20(17)14-37-22-19(34-8-9-35-22)12-16(23(37)38)15-4-10-36(11-5-15)21-13-32-7-3-18(21)25(29,30)31/h1-3,6-9,12-13,15H,4-5,10-11,14H2
• InChIKey: MEDVHFKLKBOBEM-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.46
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one (CID 174277659) is 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one.

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

The canonical SMILES for 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one is O=c1c(C2CCN(c3cnccc3C(F)(F)F)CC2)cc2nccnc2n1Cc1ncccc1C(F)(F)F.

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

The InChIKey is MEDVHFKLKBOBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N6O/c26-24(27,28)17-2-1-6-33-20(17)14-37-22-19(34-8-9-35-22)12-16(23(37)38)15-4-10-36(11-5-15)21-13-32-7-3-18(21)25(29,30)31/h1-3,6-9,12-13,15H,4-5,10-11,14H2.

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

5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 534.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174277659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).