1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one

C25H22ClF2N5O4 — CID 166466993

IUPAC1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one
SMILESCc1cnc(-n2ccnc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C25H22ClF2N5O4/c1-13-10-31-20(32-6-5-29-22(24(32)35)25(3,4)36)9-18(13)33-14(2)7-19(21(26)23(33)34)37-12-17-16(28)8-15(27)11-30-17/h5-11,36H,12H2,1-4H3
InChIKeyUOTOSGLKBCSIBU-UHFFFAOYSA-N
MW529.93 g/mol
LogP3.53
Rot. Bonds6

About 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one

1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one (PubChem CID 166466993) has the molecular formula C25H22ClF2N5O4 and a molecular weight of 529.93 g/mol. Its IUPAC name is 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one
PubChem CID166466993
Molecular FormulaC25H22ClF2N5O4
Molecular Weight529.93 g/mol
Exact Mass529.13
IUPAC Name1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one
SMILESCc1cnc(-n2ccnc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C25H22ClF2N5O4/c1-13-10-31-20(32-6-5-29-22(24(32)35)25(3,4)36)9-18(13)33-14(2)7-19(21(26)23(33)34)37-12-17-16(28)8-15(27)11-30-17/h5-11,36H,12H2,1-4H3
InChIKeyUOTOSGLKBCSIBU-UHFFFAOYSA-N
XLogP3.53
TPSA112.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.93
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one?
The IUPAC name of 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one (CID 166466993) is 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one.
What is the SMILES notation for 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one?
The canonical SMILES for 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one is Cc1cnc(-n2ccnc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one?
The InChIKey is UOTOSGLKBCSIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O4/c1-13-10-31-20(32-6-5-29-22(24(32)35)25(3,4)36)9-18(13)33-14(2)7-19(21(26)23(33)34)37-12-17-16(28)8-15(27)11-30-17/h5-11,36H,12H2,1-4H3.
What are the key properties of 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one?
1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one has a molecular weight of 529.93 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-3-(2-hydroxypropan-2-yl)pyrazin-2-one is sourced from PubChem (CID 166466993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).