1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one

C22H16F2N2O3S — CID 165102895

IUPAC1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESO=C(CCc1ccc2nccn2c1)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-20(12-17)30(28,29)19-5-3-16(4-6-19)21(27)7-1-15-2-8-22-25-9-10-26(22)14-15/h2-6,8-14H,1,7H2
InChIKeyYQDRNIHAHHCLCF-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.26
Rot. Bonds6

About 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one

1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one (PubChem CID 165102895) has the molecular formula C22H16F2N2O3S and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
PubChem CID165102895
Molecular FormulaC22H16F2N2O3S
Molecular Weight426.44 g/mol
Exact Mass426.08
IUPAC Name1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESO=C(CCc1ccc2nccn2c1)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-20(12-17)30(28,29)19-5-3-16(4-6-19)21(27)7-1-15-2-8-22-25-9-10-26(22)14-15/h2-6,8-14H,1,7H2
InChIKeyYQDRNIHAHHCLCF-UHFFFAOYSA-N
XLogP4.26
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-fluoro-5-morpholin-4-ylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 159757216
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
CID 159340424
3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 158469086
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-imidazo[1,2-a]pyridin-6-yl-3-[4-(2-methoxyphenyl)sulfonylphenyl]propan-1-one
CID 162079652
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
1-imidazo[1,2-a]pyridin-6-yl-3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]propan-1-one
CID 161477480
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243
3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157320792
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
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-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The IUPAC name of 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one (CID 165102895) is 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one is O=C(CCc1ccc2nccn2c1)c1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The InChIKey is YQDRNIHAHHCLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3S/c23-17-11-18(24)13-20(12-17)30(28,29)19-5-3-16(4-6-19)21(27)7-1-15-2-8-22-25-9-10-26(22)14-15/h2-6,8-14H,1,7H2.
What are the key properties of 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one has a molecular weight of 426.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)sulfonylphenyl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 165102895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).