1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one

C24H23N3O4S — CID 159019243

IUPAC1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
SMILESCOc1c(C)cc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1C
InChIInChI=1S/C24H23N3O4S/c1-16-12-21(13-17(2)23(16)31-3)32(29,30)20-7-4-18(5-8-20)6-9-22(28)19-14-26-24-25-10-11-27(24)15-19/h4-5,7-8,10-15H,6,9H2,1-3H3
InChIKeyJTMDFSJBCWKIPE-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.00
Rot. Bonds7

About 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one

1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one (PubChem CID 159019243) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
PubChem CID159019243
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
SMILESCOc1c(C)cc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1C
InChIInChI=1S/C24H23N3O4S/c1-16-12-21(13-17(2)23(16)31-3)32(29,30)20-7-4-18(5-8-20)6-9-22(28)19-14-26-24-25-10-11-27(24)15-19/h4-5,7-8,10-15H,6,9H2,1-3H3
InChIKeyJTMDFSJBCWKIPE-UHFFFAOYSA-N
XLogP4.00
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]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

3-[4-(2,3-dimethoxy-5-methylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 148805055
3-[4-[4-[2-(dimethylamino)ethyl]phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157319178
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
CID 157328443
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 159742257
3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157320792
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
CID 162062654
N-[[4-(4-fluoro-3-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 90012908
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
CID 159340424
N-[[4-(4-fluoro-3-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613617
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 149055168
3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 160997514

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one (CID 159019243) is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one is COc1c(C)cc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)cc1C.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one?
The InChIKey is JTMDFSJBCWKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-12-21(13-17(2)23(16)31-3)32(29,30)20-7-4-18(5-8-20)6-9-22(28)19-14-26-24-25-10-11-27(24)15-19/h4-5,7-8,10-15H,6,9H2,1-3H3.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one?
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one has a molecular weight of 449.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 159019243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).