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

C25H22ClFN4O2 — CID 67776150

IUPAC3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C25H22ClFN4O2/c1-15(2)24-29-11-9-20(30-24)21-13-19(8-10-28-21)31-16(3)12-22(23(26)25(31)32)33-14-17-4-6-18(27)7-5-17/h4-13,15H,14H2,1-3H3
InChIKeyWXHWWWUKWGECJS-UHFFFAOYSA-N
MW464.93 g/mol
LogP5.49
Rot. Bonds6

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

3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67776150) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67776150
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C25H22ClFN4O2/c1-15(2)24-29-11-9-20(30-24)21-13-19(8-10-28-21)31-16(3)12-22(23(26)25(31)32)33-14-17-4-6-18(27)7-5-17/h4-13,15H,14H2,1-3H3
InChIKeyWXHWWWUKWGECJS-UHFFFAOYSA-N
XLogP5.49
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67776150) is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[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-[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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1.
What is the InChIKey of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is WXHWWWUKWGECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c1-15(2)24-29-11-9-20(30-24)21-13-19(8-10-28-21)31-16(3)12-22(23(26)25(31)32)33-14-17-4-6-18(27)7-5-17/h4-13,15H,14H2,1-3H3.
What are the key properties of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 464.93 g/mol, XLogP of 5.49, 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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67776150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).