1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one

C26H19ClF3N3O — CID 152936989

IUPAC1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)ccc1Cl
InChIInChI=1S/C26H19ClF3N3O/c1-3-23(34)20-12-17(9-10-21(20)27)16-5-4-6-18(11-16)25-32-22(13-24(33-25)26(28,29)30)19-8-7-15(2)31-14-19/h4-14H,3H2,1-2H3
InChIKeyUMBCOHVLHODLJS-UHFFFAOYSA-N
MW481.91 g/mol
LogP7.45
Rot. Bonds5

About 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one

1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one (PubChem CID 152936989) has the molecular formula C26H19ClF3N3O and a molecular weight of 481.91 g/mol. Its IUPAC name is 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one
PubChem CID152936989
Molecular FormulaC26H19ClF3N3O
Molecular Weight481.91 g/mol
Exact Mass481.12
IUPAC Name1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)ccc1Cl
InChIInChI=1S/C26H19ClF3N3O/c1-3-23(34)20-12-17(9-10-21(20)27)16-5-4-6-18(11-16)25-32-22(13-24(33-25)26(28,29)30)19-8-7-15(2)31-14-19/h4-14H,3H2,1-2H3
InChIKeyUMBCOHVLHODLJS-UHFFFAOYSA-N
XLogP7.45
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.91
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]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

Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-(4-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 86281547
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-2-methyl-4-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 86281948
4-[4-(4-Chlorophenyl)pyrimidin-2-yl]benzamide
CID 27126517
2-chloro-N-[4-(4-phenylpyrimidin-2-yl)phenyl]benzamide
CID 56665113
2-chloro-N-[4-(2-phenylpyrimidin-4-yl)phenyl]benzamide
CID 56668559
[5-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-piperidin-1-ylmethanone
CID 58072546
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N,N-dimethylbenzamide
CID 58072575
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N-methylbenzamide
CID 58072680
[5-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorophenyl]-piperidin-1-ylmethanone
CID 58072779
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N,N-diethylbenzamide
CID 58072904
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-4-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 86281292
Preparation of 1-acetyl-4-(2-(3,3-difluoropyrrolidin-1-yl)-6-(4-(trifluoromethyl)pyridin-2-ylamino)pyrimidin-4-yl) piperidine-4-carbonitrile
CID 86342005

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one (CID 152936989) is 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one is CCC(=O)c1cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one?
The InChIKey is UMBCOHVLHODLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N3O/c1-3-23(34)20-12-17(9-10-21(20)27)16-5-4-6-18(11-16)25-32-22(13-24(33-25)26(28,29)30)19-8-7-15(2)31-14-19/h4-14H,3H2,1-2H3.
What are the key properties of 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one?
1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one has a molecular weight of 481.91 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 152936989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).