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

C25H22ClF2N5O4 — CID 166466957

IUPAC3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one
SMILESCc1cnc(-n2cncc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C25H22ClF2N5O4/c1-13-8-31-21(32-12-29-10-16(23(32)34)25(3,4)36)7-19(13)33-14(2)5-20(22(26)24(33)35)37-11-18-17(28)6-15(27)9-30-18/h5-10,12,36H,11H2,1-4H3
InChIKeyDPMOHMNWEOPLIK-UHFFFAOYSA-N
MW529.93 g/mol
LogP3.53
Rot. Bonds6

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

3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one (PubChem CID 166466957) has the molecular formula C25H22ClF2N5O4 and a molecular weight of 529.93 g/mol. Its IUPAC name is 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one
PubChem CID166466957
Molecular FormulaC25H22ClF2N5O4
Molecular Weight529.93 g/mol
Exact Mass529.13
IUPAC Name3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one
SMILESCc1cnc(-n2cncc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C25H22ClF2N5O4/c1-13-8-31-21(32-12-29-10-16(23(32)34)25(3,4)36)7-19(13)33-14(2)5-20(22(26)24(33)35)37-11-18-17(28)6-15(27)9-30-18/h5-10,12,36H,11H2,1-4H3
InChIKeyDPMOHMNWEOPLIK-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 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one?
The IUPAC name of 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one (CID 166466957) is 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one is Cc1cnc(-n2cncc(C(C)(C)O)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one?
The InChIKey is DPMOHMNWEOPLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O4/c1-13-8-31-21(32-12-29-10-16(23(32)34)25(3,4)36)7-19(13)33-14(2)5-20(22(26)24(33)35)37-11-18-17(28)6-15(27)9-30-18/h5-10,12,36H,11H2,1-4H3.
What are the key properties of 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one?
3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-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 3-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-5-methyl-2-pyridinyl]-5-(2-hydroxypropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 166466957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).