3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

C16H20N6O3S — CID 171141923

IUPAC3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)n(C)c4cccnc43)C2)cn1C
InChIInChI=1S/C16H20N6O3S/c1-11-18-14(10-19(11)2)26(24,25)21-8-6-12(9-21)22-15-13(5-4-7-17-15)20(3)16(22)23/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyLZBPIFLLYNASRZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.41
Rot. Bonds3

About 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 171141923) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID171141923
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)n(C)c4cccnc43)C2)cn1C
InChIInChI=1S/C16H20N6O3S/c1-11-18-14(10-19(11)2)26(24,25)21-8-6-12(9-21)22-15-13(5-4-7-17-15)20(3)16(22)23/h4-5,7,10,12H,6,8-9H2,1-3H3
InChIKeyLZBPIFLLYNASRZ-UHFFFAOYSA-N
XLogP0.41
TPSA95.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 171141923) is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is Cc1nc(S(=O)(=O)N2CCC(n3c(=O)n(C)c4cccnc43)C2)cn1C.
What is the InChIKey of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is LZBPIFLLYNASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-11-18-14(10-19(11)2)26(24,25)21-8-6-12(9-21)22-15-13(5-4-7-17-15)20(3)16(22)23/h4-5,7,10,12H,6,8-9H2,1-3H3.
What are the key properties of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 376.44 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 171141923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).