1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one

C19H23N3O3S — CID 54761055

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc21
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)12-22-16-11-10-15(20-17(16)21(4)18(22)23)13-6-8-14(9-7-13)26(5,24)25/h6-11H,12H2,1-5H3
InChIKeyBRCXHVAMPGLIAD-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.85
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 54761055) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one
PubChem CID54761055
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc21
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)12-22-16-11-10-15(20-17(16)21(4)18(22)23)13-6-8-14(9-7-13)26(5,24)25/h6-11H,12H2,1-5H3
InChIKeyBRCXHVAMPGLIAD-UHFFFAOYSA-N
XLogP2.85
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one (CID 54761055) is 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(S(C)(=O)=O)cc3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is BRCXHVAMPGLIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-19(2,3)12-22-16-11-10-15(20-17(16)21(4)18(22)23)13-6-8-14(9-7-13)26(5,24)25/h6-11H,12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 373.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54761055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).