2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C19H20N4OS — CID 3214172

IUPAC2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N4OS/c24-17(22-11-4-5-12-22)14-25-19-21-16-9-6-10-20-18(16)23(19)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
InChIKeyRUFULHDSEGRHJR-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 3214172) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID3214172
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H20N4OS/c24-17(22-11-4-5-12-22)14-25-19-21-16-9-6-10-20-18(16)23(19)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
InChIKeyRUFULHDSEGRHJR-UHFFFAOYSA-N
XLogP3.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone 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 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 3214172) is 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is O=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is RUFULHDSEGRHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-17(22-11-4-5-12-22)14-25-19-21-16-9-6-10-20-18(16)23(19)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2.
What are the key properties of 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 352.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3214172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).