1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one

C26H20F2N2O — CID 90339605

IUPAC1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)c1cc(F)cc(F)c1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C26H20F2N2O/c1-17-4-2-3-5-24(17)25(13-26(31)20-10-22(27)12-23(28)11-20)19-8-6-18(7-9-19)21-14-29-16-30-15-21/h2-12,14-16,25H,13H2,1H3
InChIKeyWOUIGWDCANQYRI-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.14
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one

1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one (PubChem CID 90339605) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one
PubChem CID90339605
Molecular FormulaC26H20F2N2O
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)c1cc(F)cc(F)c1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C26H20F2N2O/c1-17-4-2-3-5-24(17)25(13-26(31)20-10-22(27)12-23(28)11-20)19-8-6-18(7-9-19)21-14-29-16-30-15-21/h2-12,14-16,25H,13H2,1H3
InChIKeyWOUIGWDCANQYRI-UHFFFAOYSA-N
XLogP6.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-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 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one (CID 90339605) is 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one is Cc1ccccc1C(CC(=O)c1cc(F)cc(F)c1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one?
The InChIKey is WOUIGWDCANQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c1-17-4-2-3-5-24(17)25(13-26(31)20-10-22(27)12-23(28)11-20)19-8-6-18(7-9-19)21-14-29-16-30-15-21/h2-12,14-16,25H,13H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one?
1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one has a molecular weight of 414.46 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-(4-pyrimidin-5-ylphenyl)propan-1-one is sourced from PubChem (CID 90339605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).