4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one

C26H24F3N5O3 — CID 165398427

IUPAC4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(C)c1=O
InChIInChI=1S/C26H24F3N5O3/c1-13-10-32-22(18-6-7-30-25(33-18)26(4,5)36)21(29)23(13)34-14(2)8-20(15(3)24(34)35)37-12-19-17(28)9-16(27)11-31-19/h6-11,36H,12H2,1-5H3
InChIKeyGDYLZKFDACOHIB-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.23
Rot. Bonds6

About 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one

4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one (PubChem CID 165398427) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one
PubChem CID165398427
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(C)c1=O
InChIInChI=1S/C26H24F3N5O3/c1-13-10-32-22(18-6-7-30-25(33-18)26(4,5)36)21(29)23(13)34-14(2)8-20(15(3)24(34)35)37-12-19-17(28)9-16(27)11-31-19/h6-11,36H,12H2,1-5H3
InChIKeyGDYLZKFDACOHIB-UHFFFAOYSA-N
XLogP4.23
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one with MolForge

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4-[(3,5-Difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one (CID 165398427) is 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(C)c1=O.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The InChIKey is GDYLZKFDACOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-13-10-32-22(18-6-7-30-25(33-18)26(4,5)36)21(29)23(13)34-14(2)8-20(15(3)24(34)35)37-12-19-17(28)9-16(27)11-31-19/h6-11,36H,12H2,1-5H3.
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one has a molecular weight of 511.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[3-fluoro-2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 165398427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).