1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one

C25H25N3O4S — CID 157328443

IUPAC1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)c(C)c1
InChIInChI=1S/C25H25N3O4S/c1-3-14-32-21-7-11-24(18(2)15-21)33(30,31)22-8-4-19(5-9-22)6-10-23(29)20-16-27-25-26-12-13-28(25)17-20/h4-5,7-9,11-13,15-17H,3,6,10,14H2,1-2H3
InChIKeyBEZQJCOUHQPEQX-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.47
Rot. Bonds9

About 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one

1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one (PubChem CID 157328443) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
PubChem CID157328443
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)c(C)c1
InChIInChI=1S/C25H25N3O4S/c1-3-14-32-21-7-11-24(18(2)15-21)33(30,31)22-8-4-19(5-9-22)6-10-23(29)20-16-27-25-26-12-13-28(25)17-20/h4-5,7-9,11-13,15-17H,3,6,10,14H2,1-2H3
InChIKeyBEZQJCOUHQPEQX-UHFFFAOYSA-N
XLogP4.47
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243
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
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
3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 149055168
N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012733
3-[4-(2-methyl-4-pyrazol-1-ylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 160745513
N-[[4-(4-chloro-2-ethoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66609027
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
CID 159340424

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one (CID 157328443) is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one is CCCOc1ccc(S(=O)(=O)c2ccc(CCC(=O)c3cnc4nccn4c3)cc2)c(C)c1.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one?
The InChIKey is BEZQJCOUHQPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-3-14-32-21-7-11-24(18(2)15-21)33(30,31)22-8-4-19(5-9-22)6-10-23(29)20-16-27-25-26-12-13-28(25)17-20/h4-5,7-9,11-13,15-17H,3,6,10,14H2,1-2H3.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one?
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one has a molecular weight of 463.56 g/mol, XLogP of 4.47, 9 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-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one is sourced from PubChem (CID 157328443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).