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

C26H23ClF2N4O4 — CID 166466952

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-n2cc(C(C)(C)O)ccc2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H23ClF2N4O4/c1-14-10-31-22(32-12-16(26(3,4)36)5-6-23(32)34)9-20(14)33-15(2)7-21(24(27)25(33)35)37-13-19-18(29)8-17(28)11-30-19/h5-12,36H,13H2,1-4H3
InChIKeyYQOGPELJJYGSHL-UHFFFAOYSA-N
MW528.94 g/mol
LogP4.13
Rot. Bonds6

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

3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 166466952) has the molecular formula C26H23ClF2N4O4 and a molecular weight of 528.94 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID166466952
Molecular FormulaC26H23ClF2N4O4
Molecular Weight528.94 g/mol
Exact Mass528.14
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-n2cc(C(C)(C)O)ccc2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H23ClF2N4O4/c1-14-10-31-22(32-12-16(26(3,4)36)5-6-23(32)34)9-20(14)33-15(2)7-21(24(27)25(33)35)37-13-19-18(29)8-17(28)11-30-19/h5-12,36H,13H2,1-4H3
InChIKeyYQOGPELJJYGSHL-UHFFFAOYSA-N
XLogP4.13
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.94
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-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-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 166466952) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-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-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-n2cc(C(C)(C)O)ccc2=O)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-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is YQOGPELJJYGSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N4O4/c1-14-10-31-22(32-12-16(26(3,4)36)5-6-23(32)34)9-20(14)33-15(2)7-21(24(27)25(33)35)37-13-19-18(29)8-17(28)11-30-19/h5-12,36H,13H2,1-4H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 528.94 g/mol, XLogP of 4.13, 6 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-[5-(2-hydroxypropan-2-yl)-2-oxo-1-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 166466952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).