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

C27H26F2N4O3 — CID 57406184

IUPAC4-[(2,4-difluorophenyl)methoxy]-1-[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)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O
InChIInChI=1S/C27H26F2N4O3/c1-15-13-31-22(21-8-9-30-26(32-21)27(4,5)35)12-23(15)33-16(2)10-24(17(3)25(33)34)36-14-18-6-7-19(28)11-20(18)29/h6-13,35H,14H2,1-5H3
InChIKeyCCEKHQCZQDUBPW-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.70
Rot. Bonds6

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

4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one (PubChem CID 57406184) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one
PubChem CID57406184
Molecular FormulaC27H26F2N4O3
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-1-[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)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O
InChIInChI=1S/C27H26F2N4O3/c1-15-13-31-22(21-8-9-30-26(32-21)27(4,5)35)12-23(15)33-16(2)10-24(17(3)25(33)34)36-14-18-6-7-19(28)11-20(18)29/h6-13,35H,14H2,1-5H3
InChIKeyCCEKHQCZQDUBPW-UHFFFAOYSA-N
XLogP4.70
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one (CID 57406184) is 4-[(2,4-difluorophenyl)methoxy]-1-[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-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-[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)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
The InChIKey is CCEKHQCZQDUBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c1-15-13-31-22(21-8-9-30-26(32-21)27(4,5)35)12-23(15)33-16(2)10-24(17(3)25(33)34)36-14-18-6-7-19(28)11-20(18)29/h6-13,35H,14H2,1-5H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one has a molecular weight of 492.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 57406184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).