7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine

C18H19N3O2S — CID 941841

IUPAC7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)nc2c1
InChIInChI=1S/C18H19N3O2S/c1-14-7-10-20-13-17(19-18(20)11-14)15-5-4-6-16(12-15)24(22,23)21-8-2-3-9-21/h4-7,10-13H,2-3,8-9H2,1H3
InChIKeyCXPGCWBDFSHULT-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds3

About 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine

7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 941841) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID941841
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)nc2c1
InChIInChI=1S/C18H19N3O2S/c1-14-7-10-20-13-17(19-18(20)11-14)15-5-4-6-16(12-15)24(22,23)21-8-2-3-9-21/h4-7,10-13H,2-3,8-9H2,1H3
InChIKeyCXPGCWBDFSHULT-UHFFFAOYSA-N
XLogP3.09
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 941841) is 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine is Cc1ccn2cc(-c3cccc(S(=O)(=O)N4CCCC4)c3)nc2c1.
What is the InChIKey of 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is CXPGCWBDFSHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-7-10-20-13-17(19-18(20)11-14)15-5-4-6-16(12-15)24(22,23)21-8-2-3-9-21/h4-7,10-13H,2-3,8-9H2,1H3.
What are the key properties of 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine?
7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 341.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 941841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).