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

C26H24F2N4O3 — CID 67776227

IUPAC4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)cc(C)n(-c2cncc(-c3ccnc(C(C)(C)O)n3)c2)c1=O
InChIInChI=1S/C26H24F2N4O3/c1-15-9-23(35-14-17-5-6-19(27)11-21(17)28)16(2)24(33)32(15)20-10-18(12-29-13-20)22-7-8-30-25(31-22)26(3,4)34/h5-13,34H,14H2,1-4H3
InChIKeyULJJBYVOBLOVRO-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.39
Rot. Bonds6

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

4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one (PubChem CID 67776227) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one
PubChem CID67776227
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one
SMILESCc1c(OCc2ccc(F)cc2F)cc(C)n(-c2cncc(-c3ccnc(C(C)(C)O)n3)c2)c1=O
InChIInChI=1S/C26H24F2N4O3/c1-15-9-23(35-14-17-5-6-19(27)11-21(17)28)16(2)24(33)32(15)20-10-18(12-29-13-20)22-7-8-30-25(31-22)26(3,4)34/h5-13,34H,14H2,1-4H3
InChIKeyULJJBYVOBLOVRO-UHFFFAOYSA-N
XLogP4.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.39
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-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one (CID 67776227) is 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one is Cc1c(OCc2ccc(F)cc2F)cc(C)n(-c2cncc(-c3ccnc(C(C)(C)O)n3)c2)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one?
The InChIKey is ULJJBYVOBLOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-15-9-23(35-14-17-5-6-19(27)11-21(17)28)16(2)24(33)32(15)20-10-18(12-29-13-20)22-7-8-30-25(31-22)26(3,4)34/h5-13,34H,14H2,1-4H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one has a molecular weight of 478.50 g/mol, XLogP of 4.39, 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-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3,6-dimethylpyridin-2-one is sourced from PubChem (CID 67776227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).