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

C25H22F4N6O — CID 174277490

IUPAC7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1ncc(F)cc1N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C25H22F4N6O/c1-15-22(11-17(26)13-33-15)34-9-4-16(5-10-34)18-12-20-23(32-8-7-31-20)35(24(18)36)14-21-19(25(27,28)29)3-2-6-30-21/h2-3,6-8,11-13,16H,4-5,9-10,14H2,1H3
InChIKeyXXGPLZRIGRSGOQ-UHFFFAOYSA-N
MW498.48 g/mol
LogP4.48
Rot. Bonds4

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

7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (PubChem CID 174277490) has the molecular formula C25H22F4N6O and a molecular weight of 498.48 g/mol. Its IUPAC name is 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
PubChem CID174277490
Molecular FormulaC25H22F4N6O
Molecular Weight498.48 g/mol
Exact Mass498.18
IUPAC Name7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
SMILESCc1ncc(F)cc1N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1
InChIInChI=1S/C25H22F4N6O/c1-15-22(11-17(26)13-33-15)34-9-4-16(5-10-34)18-12-20-23(32-8-7-31-20)35(24(18)36)14-21-19(25(27,28)29)3-2-6-30-21/h2-3,6-8,11-13,16H,4-5,9-10,14H2,1H3
InChIKeyXXGPLZRIGRSGOQ-UHFFFAOYSA-N
XLogP4.48
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one (CID 174277490) is 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is Cc1ncc(F)cc1N1CCC(c2cc3nccnc3n(Cc3ncccc3C(F)(F)F)c2=O)CC1.
What is the InChIKey of 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
The InChIKey is XXGPLZRIGRSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O/c1-15-22(11-17(26)13-33-15)34-9-4-16(5-10-34)18-12-20-23(32-8-7-31-20)35(24(18)36)14-21-19(25(27,28)29)3-2-6-30-21/h2-3,6-8,11-13,16H,4-5,9-10,14H2,1H3.
What are the key properties of 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one?
7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one has a molecular weight of 498.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5-fluoro-2-methyl-3-pyridinyl)piperidin-4-yl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174277490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).