3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C26H24ClF2N5O3 — CID 165398048

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)CO)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H24ClF2N5O3/c1-14-10-31-19(18-5-6-30-25(33-18)26(3,4)13-35)9-21(14)34-15(2)7-22(23(27)24(34)36)37-12-20-17(29)8-16(28)11-32-20/h5-11,35H,12-13H2,1-4H3
InChIKeyVWNROJWIQIWFSP-UHFFFAOYSA-N
MW527.96 g/mol
LogP4.48
Rot. Bonds7

About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 165398048) has the molecular formula C26H24ClF2N5O3 and a molecular weight of 527.96 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID165398048
Molecular FormulaC26H24ClF2N5O3
Molecular Weight527.96 g/mol
Exact Mass527.15
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)CO)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H24ClF2N5O3/c1-14-10-31-19(18-5-6-30-25(33-18)26(3,4)13-35)9-21(14)34-15(2)7-22(23(27)24(34)36)37-12-20-17(29)8-16(28)11-32-20/h5-11,35H,12-13H2,1-4H3
InChIKeyVWNROJWIQIWFSP-UHFFFAOYSA-N
XLogP4.48
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.96
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 165398048) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)CO)n2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is VWNROJWIQIWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N5O3/c1-14-10-31-19(18-5-6-30-25(33-18)26(3,4)13-35)9-21(14)34-15(2)7-22(23(27)24(34)36)37-12-20-17(29)8-16(28)11-32-20/h5-11,35H,12-13H2,1-4H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 527.96 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 165398048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).