5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine

C17H16N4O2S — CID 59559691

IUPAC5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine
SMILESC=Cc1ccc2ncn(-c3ccc4c(c3)N(S(C)(=O)=O)CC4)c2n1
InChIInChI=1S/C17H16N4O2S/c1-3-13-5-7-15-17(19-13)20(11-18-15)14-6-4-12-8-9-21(16(12)10-14)24(2,22)23/h3-7,10-11H,1,8-9H2,2H3
InChIKeyAWAHGXGKNKVVDH-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.39
Rot. Bonds3

About 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine

5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine (PubChem CID 59559691) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine
PubChem CID59559691
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine
SMILESC=Cc1ccc2ncn(-c3ccc4c(c3)N(S(C)(=O)=O)CC4)c2n1
InChIInChI=1S/C17H16N4O2S/c1-3-13-5-7-15-17(19-13)20(11-18-15)14-6-4-12-8-9-21(16(12)10-14)24(2,22)23/h3-7,10-11H,1,8-9H2,2H3
InChIKeyAWAHGXGKNKVVDH-UHFFFAOYSA-N
XLogP2.39
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine (CID 59559691) is 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine is C=Cc1ccc2ncn(-c3ccc4c(c3)N(S(C)(=O)=O)CC4)c2n1.
What is the InChIKey of 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine?
The InChIKey is AWAHGXGKNKVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-3-13-5-7-15-17(19-13)20(11-18-15)14-6-4-12-8-9-21(16(12)10-14)24(2,22)23/h3-7,10-11H,1,8-9H2,2H3.
What are the key properties of 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine?
5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine has a molecular weight of 340.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 59559691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).