8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline

C22H23N5O2S — CID 83273411

IUPAC8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3
InChIKeyUUIDFKXTVMDWGS-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.57
Rot. Bonds5

About 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline

8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline (PubChem CID 83273411) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
PubChem CID83273411
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline
SMILESCCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3
InChIKeyUUIDFKXTVMDWGS-UHFFFAOYSA-N
XLogP3.57
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline 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 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline (CID 83273411) is 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline is CCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2cccc3cccnc23)C1.
What is the InChIKey of 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is UUIDFKXTVMDWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-2-6-20-25-18-9-5-13-24-22(18)27(20)17-11-14-26(15-17)30(28,29)19-10-3-7-16-8-4-12-23-21(16)19/h3-5,7-10,12-13,17H,2,6,11,14-15H2,1H3.
What are the key properties of 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline?
8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 421.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 83273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).