5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine

C21H19N3O2S — CID 167713578

IUPAC5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccc(S(C)(=O)=O)cc3)c(Nc3ccccc3)n12
InChIInChI=1S/C21H19N3O2S/c1-15-7-6-10-19-23-20(16-11-13-18(14-12-16)27(2,25)26)21(24(15)19)22-17-8-4-3-5-9-17/h3-14,22H,1-2H3
InChIKeyYBQWKZMCXWZGJJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.46
Rot. Bonds4

About 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine

5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine (PubChem CID 167713578) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
PubChem CID167713578
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc2nc(-c3ccc(S(C)(=O)=O)cc3)c(Nc3ccccc3)n12
InChIInChI=1S/C21H19N3O2S/c1-15-7-6-10-19-23-20(16-11-13-18(14-12-16)27(2,25)26)21(24(15)19)22-17-8-4-3-5-9-17/h3-14,22H,1-2H3
InChIKeyYBQWKZMCXWZGJJ-UHFFFAOYSA-N
XLogP4.46
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N,2-bis(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3515709
2-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338705
N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
2-(3-bromophenyl)-5-methyl-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338723
N-(4-fluorophenyl)-7-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713595
N-benzyl-2-(4-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 808678
2-chloro-N-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 23792325
2-(2-fluoro-5-methylphenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579086
4-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-phenylaniline
CID 58317784
1-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-3-phenylthiourea
CID 171933585
2-(4-nitrophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 123510105
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine (CID 167713578) is 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine is Cc1cccc2nc(-c3ccc(S(C)(=O)=O)cc3)c(Nc3ccccc3)n12.
What is the InChIKey of 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is YBQWKZMCXWZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-15-7-6-10-19-23-20(16-11-13-18(14-12-16)27(2,25)26)21(24(15)19)22-17-8-4-3-5-9-17/h3-14,22H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine?
5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfonylphenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 167713578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).