1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one

C27H27N3O4S — CID 161477480

IUPAC1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C27H27N3O4S/c31-25(22-8-12-27-28-13-14-30(27)20-22)11-7-21-5-9-24(10-6-21)35(32,33)26-4-2-1-3-23(26)19-29-15-17-34-18-16-29/h1-6,8-10,12-14,20H,7,11,15-19H2
InChIKeyWDXDQFWTXZYHIX-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.81
Rot. Bonds8

About 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one

1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one (PubChem CID 161477480) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
PubChem CID161477480
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C27H27N3O4S/c31-25(22-8-12-27-28-13-14-30(27)20-22)11-7-21-5-9-24(10-6-21)35(32,33)26-4-2-1-3-23(26)19-29-15-17-34-18-16-29/h1-6,8-10,12-14,20H,7,11,15-19H2
InChIKeyWDXDQFWTXZYHIX-UHFFFAOYSA-N
XLogP3.81
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
3-[4-(3-fluoro-5-morpholin-4-ylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 159757216
3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 148584063
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
1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 165102895
3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 158469086
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
CID 162062654
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[2-(4-sulfamoylphenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703991
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
3-[4-[4-[2-(dimethylamino)ethyl]phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157319178

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one (CID 161477480) is 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one is O=C(CCc1ccc(S(=O)(=O)c2ccccc2CN2CCOCC2)cc1)c1ccc2nccn2c1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one?
The InChIKey is WDXDQFWTXZYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c31-25(22-8-12-27-28-13-14-30(27)20-22)11-7-21-5-9-24(10-6-21)35(32,33)26-4-2-1-3-23(26)19-29-15-17-34-18-16-29/h1-6,8-10,12-14,20H,7,11,15-19H2.
What are the key properties of 1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one?
1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one has a molecular weight of 489.60 g/mol, XLogP of 3.81, 8 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]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one is sourced from PubChem (CID 161477480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).