4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile

C28H19N5O2S — CID 154620327

IUPAC4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C28H19N5O2S/c29-18-20-13-15-21(16-14-20)30-28-27(31-26-12-6-7-17-32(26)28)24-19-33(25-11-5-4-10-23(24)25)36(34,35)22-8-2-1-3-9-22/h1-17,19,30H
InChIKeyPJKWYDHNZXDXSR-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.81
Rot. Bonds5

About 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile

4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile (PubChem CID 154620327) has the molecular formula C28H19N5O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
PubChem CID154620327
Molecular FormulaC28H19N5O2S
Molecular Weight489.56 g/mol
Exact Mass489.13
IUPAC Name4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)nc3ccccn23)cc1
InChIInChI=1S/C28H19N5O2S/c29-18-20-13-15-21(16-14-20)30-28-27(31-26-12-6-7-17-32(26)28)24-19-33(25-11-5-4-10-23(24)25)36(34,35)22-8-2-1-3-9-22/h1-17,19,30H
InChIKeyPJKWYDHNZXDXSR-UHFFFAOYSA-N
XLogP5.81
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile with MolForge

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Related Compounds

4-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]benzene-1,2,3-triol
CID 167560267
1-(benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole
CID 70700794
4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175995945
1-[3-(4-ethynylanilino)imidazo[1,2-a]pyridin-2-yl]naphthalen-2-ol
CID 167560268
N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
2-(3-methylimidazo[1,5-a]pyridin-1-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 174193271
2-(4-nitrophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 123510105
2-(3-chloro-2-fluorophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 91259410
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
cis-(1S,3R)-3-N-[4-[1-(benzenesulfonyl)indol-3-yl]-5-chloropyrimidin-2-yl]-1-N-chlorocyclohexane-1,3-diamine
CID 118034036
4-[1-(benzenesulfonyl)indol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155534152

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile (CID 154620327) is 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile is N#Cc1ccc(Nc2c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)nc3ccccn23)cc1.
What is the InChIKey of 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile?
The InChIKey is PJKWYDHNZXDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O2S/c29-18-20-13-15-21(16-14-20)30-28-27(31-26-12-6-7-17-32(26)28)24-19-33(25-11-5-4-10-23(24)25)36(34,35)22-8-2-1-3-9-22/h1-17,19,30H.
What are the key properties of 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile?
4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile has a molecular weight of 489.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(benzenesulfonyl)indol-3-yl]imidazo[1,2-a]pyridin-3-yl]amino]benzonitrile is sourced from PubChem (CID 154620327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).