1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone

C23H19BrN2O3S — CID 58236479

IUPAC1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone
SMILESCc1cccn2cc(-c3ccc(CC(=O)c4ccc(S(C)(=O)=O)cc4Br)cc3)nc12
InChIInChI=1S/C23H19BrN2O3S/c1-15-4-3-11-26-14-21(25-23(15)26)17-7-5-16(6-8-17)12-22(27)19-10-9-18(13-20(19)24)30(2,28)29/h3-11,13-14H,12H2,1-2H3
InChIKeyPVOBLZCVARDCBV-UHFFFAOYSA-N
MW483.39 g/mol
LogP4.90
Rot. Bonds5

About 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone

1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone (PubChem CID 58236479) has the molecular formula C23H19BrN2O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone
PubChem CID58236479
Molecular FormulaC23H19BrN2O3S
Molecular Weight483.39 g/mol
Exact Mass482.03
IUPAC Name1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone
SMILESCc1cccn2cc(-c3ccc(CC(=O)c4ccc(S(C)(=O)=O)cc4Br)cc3)nc12
InChIInChI=1S/C23H19BrN2O3S/c1-15-4-3-11-26-14-21(25-23(15)26)17-7-5-16(6-8-17)12-22(27)19-10-9-18(13-20(19)24)30(2,28)29/h3-11,13-14H,12H2,1-2H3
InChIKeyPVOBLZCVARDCBV-UHFFFAOYSA-N
XLogP4.90
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10479795, Example 480
CID 132260447
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8-Acetyl-3-(4-fluoro-phenyl)-2-(4-methanesulfonyl-phenyl)-imidazo[1,2-a]pyridine
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CID 10981684
2-Fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide
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2-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methylsulfonylbenzamide
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1-[3-(4-Fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
CID 66622999
8-Bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 67625001
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone?
The IUPAC name of 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone (CID 58236479) is 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone is Cc1cccn2cc(-c3ccc(CC(=O)c4ccc(S(C)(=O)=O)cc4Br)cc3)nc12.
What is the InChIKey of 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone?
The InChIKey is PVOBLZCVARDCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3S/c1-15-4-3-11-26-14-21(25-23(15)26)17-7-5-16(6-8-17)12-22(27)19-10-9-18(13-20(19)24)30(2,28)29/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone?
1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone has a molecular weight of 483.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone is sourced from PubChem (CID 58236479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).