6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C23H20N2O4S2 — CID 122193257

IUPAC6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cn23)cc1
InChIInChI=1S/C23H20N2O4S2/c1-30(26,27)19-8-5-16(6-9-19)22-14-24-23-12-7-18(15-25(22)23)17-3-2-4-21(13-17)31(28,29)20-10-11-20/h2-9,12-15,20H,10-11H2,1H3
InChIKeyJHAUJDPMHVNFAA-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.01
Rot. Bonds5

About 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 122193257) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID122193257
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC Name6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cn23)cc1
InChIInChI=1S/C23H20N2O4S2/c1-30(26,27)19-8-5-16(6-9-19)22-14-24-23-12-7-18(15-25(22)23)17-3-2-4-21(13-17)31(28,29)20-10-11-20/h2-9,12-15,20H,10-11H2,1H3
InChIKeyJHAUJDPMHVNFAA-UHFFFAOYSA-N
XLogP4.01
TPSA85.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 122193257) is 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)cn23)cc1.
What is the InChIKey of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is JHAUJDPMHVNFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-30(26,27)19-8-5-16(6-9-19)22-14-24-23-12-7-18(15-25(22)23)17-3-2-4-21(13-17)31(28,29)20-10-11-20/h2-9,12-15,20H,10-11H2,1H3.
What are the key properties of 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 452.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 122193257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).