4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C28H28F2N4O2 — CID 67776575

IUPAC4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O
InChIInChI=1S/C28H28F2N4O2/c1-15(2)27-32-13-17(4)26(33-27)23-11-24(16(3)12-31-23)34-18(5)9-25(19(6)28(34)35)36-14-20-7-8-21(29)10-22(20)30/h7-13,15H,14H2,1-6H3
InChIKeyHBVGYDXKQYIJAW-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.90
Rot. Bonds6

About 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67776575) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67776575
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O
InChIInChI=1S/C28H28F2N4O2/c1-15(2)27-32-13-17(4)26(33-27)23-11-24(16(3)12-31-23)34-18(5)9-25(19(6)28(34)35)36-14-20-7-8-21(29)10-22(20)30/h7-13,15H,14H2,1-6H3
InChIKeyHBVGYDXKQYIJAW-UHFFFAOYSA-N
XLogP5.90
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67776575) is 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(C)c1=O.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is HBVGYDXKQYIJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c1-15(2)27-32-13-17(4)26(33-27)23-11-24(16(3)12-31-23)34-18(5)9-25(19(6)28(34)35)36-14-20-7-8-21(29)10-22(20)30/h7-13,15H,14H2,1-6H3.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 490.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67776575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).