2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

C22H20N4O2S — CID 131673418

IUPAC2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)C1
InChIInChI=1S/C22H20N4O2S/c27-29(28,20-9-5-2-6-10-20)25-14-13-19(15-25)22-23-21-12-11-18(16-26(21)24-22)17-7-3-1-4-8-17/h1-12,16,19H,13-15H2
InChIKeyAPBGKFNHYHIWIA-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.57
Rot. Bonds4

About 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 131673418) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID131673418
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)C1
InChIInChI=1S/C22H20N4O2S/c27-29(28,20-9-5-2-6-10-20)25-14-13-19(15-25)22-23-21-12-11-18(16-26(21)24-22)17-7-3-1-4-8-17/h1-12,16,19H,13-15H2
InChIKeyAPBGKFNHYHIWIA-UHFFFAOYSA-N
XLogP3.57
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]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 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine (CID 131673418) is 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is O=S(=O)(c1ccccc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)C1.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is APBGKFNHYHIWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-29(28,20-9-5-2-6-10-20)25-14-13-19(15-25)22-23-21-12-11-18(16-26(21)24-22)17-7-3-1-4-8-17/h1-12,16,19H,13-15H2.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 404.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131673418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).