5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one

C25H24BrF2N3O3 — CID 21089665

IUPAC5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H24BrF2N3O3/c1-16-29-23(34-15-19-8-9-20(27)13-21(19)28)22(26)25(33)31(16)14-17-6-5-7-18(12-17)24(32)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14-15H2,1H3
InChIKeyWKTZGFRREPYYAD-UHFFFAOYSA-N
MW532.39 g/mol
LogP4.85
Rot. Bonds6

About 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one

5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one (PubChem CID 21089665) has the molecular formula C25H24BrF2N3O3 and a molecular weight of 532.39 g/mol. Its IUPAC name is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
PubChem CID21089665
Molecular FormulaC25H24BrF2N3O3
Molecular Weight532.39 g/mol
Exact Mass531.10
IUPAC Name5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C25H24BrF2N3O3/c1-16-29-23(34-15-19-8-9-20(27)13-21(19)28)22(26)25(33)31(16)14-17-6-5-7-18(12-17)24(32)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14-15H2,1H3
InChIKeyWKTZGFRREPYYAD-UHFFFAOYSA-N
XLogP4.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-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 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one (CID 21089665) is 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one?
The InChIKey is WKTZGFRREPYYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrF2N3O3/c1-16-29-23(34-15-19-8-9-20(27)13-21(19)28)22(26)25(33)31(16)14-17-6-5-7-18(12-17)24(32)30-10-3-2-4-11-30/h5-9,12-13H,2-4,10-11,14-15H2,1H3.
What are the key properties of 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one?
5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one has a molecular weight of 532.39 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 21089665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).