3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one

C26H24ClFN4O2 — CID 67778292

IUPAC3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C26H24ClFN4O2/c1-15(2)25-29-10-9-20(31-25)21-12-22(16(3)13-30-21)32-17(4)11-23(24(27)26(32)33)34-14-18-5-7-19(28)8-6-18/h5-13,15H,14H2,1-4H3
InChIKeyHIZBGHXBEDSQAZ-UHFFFAOYSA-N
MW478.96 g/mol
LogP5.80
Rot. Bonds6

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

3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67778292) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67778292
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C26H24ClFN4O2/c1-15(2)25-29-10-9-20(31-25)21-12-22(16(3)13-30-21)32-17(4)11-23(24(27)26(32)33)34-14-18-5-7-19(28)8-6-18/h5-13,15H,14H2,1-4H3
InChIKeyHIZBGHXBEDSQAZ-UHFFFAOYSA-N
XLogP5.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67778292) is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2ccnc(C(C)C)n2)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is HIZBGHXBEDSQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-15(2)25-29-10-9-20(31-25)21-12-22(16(3)13-30-21)32-17(4)11-23(24(27)26(32)33)34-14-18-5-7-19(28)8-6-18/h5-13,15H,14H2,1-4H3.
What are the key properties of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 478.96 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67778292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).