5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C23H30N4O3S — CID 71116790

IUPAC5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(=O)(=O)c4ccccc4)C3)nc21
InChIInChI=1S/C23H30N4O3S/c1-23(2,3)16-27-20-13-12-19(24-21(20)25(4)22(27)28)17-9-8-14-26(15-17)31(29,30)18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-16H2,1-4H3
InChIKeyURPCHOXPIHDUEL-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.35
Rot. Bonds4

About 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 71116790) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID71116790
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(=O)(=O)c4ccccc4)C3)nc21
InChIInChI=1S/C23H30N4O3S/c1-23(2,3)16-27-20-13-12-19(24-21(20)25(4)22(27)28)17-9-8-14-26(15-17)31(29,30)18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-16H2,1-4H3
InChIKeyURPCHOXPIHDUEL-UHFFFAOYSA-N
XLogP3.35
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 71116790) is 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCCN(S(=O)(=O)c4ccccc4)C3)nc21.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is URPCHOXPIHDUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-23(2,3)16-27-20-13-12-19(24-21(20)25(4)22(27)28)17-9-8-14-26(15-17)31(29,30)18-10-6-5-7-11-18/h5-7,10-13,17H,8-9,14-16H2,1-4H3.
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 442.59 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71116790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).