5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C20H24N4O3S — CID 129070974

IUPAC5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCC4(C)C)n3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O3S/c1-14-10-16(12-22(4)19(14)25)15-6-7-17-21-11-18(23(17)13-15)28(26,27)24-9-5-8-20(24,2)3/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyQZITVXWWLHTJDB-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.57
Rot. Bonds3

About 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 129070974) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID129070974
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCC4(C)C)n3c2)cn(C)c1=O
InChIInChI=1S/C20H24N4O3S/c1-14-10-16(12-22(4)19(14)25)15-6-7-17-21-11-18(23(17)13-15)28(26,27)24-9-5-8-20(24,2)3/h6-7,10-13H,5,8-9H2,1-4H3
InChIKeyQZITVXWWLHTJDB-UHFFFAOYSA-N
XLogP2.57
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 129070974) is 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3ncc(S(=O)(=O)N4CCCC4(C)C)n3c2)cn(C)c1=O.
What is the InChIKey of 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is QZITVXWWLHTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-10-16(12-22(4)19(14)25)15-6-7-17-21-11-18(23(17)13-15)28(26,27)24-9-5-8-20(24,2)3/h6-7,10-13H,5,8-9H2,1-4H3.
What are the key properties of 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 400.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 129070974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).