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

IUPAC5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESO=c1c(C2CCN(c3cnccc3C(F)(F)F)CC2)cc2nccnc2n1Cc1ncccc1C(F)(F)F
InChIInChI=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
InChIKeyMEDVHFKLKBOBEM-UHFFFAOYSA-N
MW534.46 g/mol
LogP5.05
Rot. Bonds4

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 Name5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
PubChem CID174277659
Molecular FormulaC25H20F6N6O
Molecular Weight534.46 g/mol
Exact Mass534.16
IUPAC Name5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-7-[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]pyrido[2,3-b]pyrazin-6-one
SMILESO=c1c(C2CCN(c3cnccc3C(F)(F)F)CC2)cc2nccnc2n1Cc1ncccc1C(F)(F)F
InChIInChI=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
InChIKeyMEDVHFKLKBOBEM-UHFFFAOYSA-N
XLogP5.05
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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).