1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one

C19H23N3O2 — CID 89497771

IUPAC1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(CO)cc3)nc21
InChIInChI=1S/C19H23N3O2/c1-19(2,3)12-22-16-10-9-15(20-17(16)21(4)18(22)24)14-7-5-13(11-23)6-8-14/h5-10,23H,11-12H2,1-4H3
InChIKeyZTAMWONLUMEXAJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.94
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 89497771) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID89497771
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(CO)cc3)nc21
InChIInChI=1S/C19H23N3O2/c1-19(2,3)12-22-16-10-9-15(20-17(16)21(4)18(22)24)14-7-5-13(11-23)6-8-14/h5-10,23H,11-12H2,1-4H3
InChIKeyZTAMWONLUMEXAJ-UHFFFAOYSA-N
XLogP2.94
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclohexylmethyl)-5-[4-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985362
1-(2,2-dimethylpropyl)-5-[5-(1-hydroxy-1-methylethyl)-2-methylphenyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 54761054
3-(cyclohexylmethyl)-5-[4-(2-hydroxypropan-2-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 57397894
1-(2,2-dimethylpropyl)-5-[5-(hydroxymethyl)-2-methylphenyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 86691853
2-[1-(2,2-Dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile
CID 89497505
1-(2,2-Dimethylpropyl)-3-methyl-5-(2-methylphenyl)imidazo[4,5-b]pyridin-2-one
CID 89735006
1-(2,2-Dimethylpropyl)-3-methyl-5-phenylimidazo[4,5-b]pyridin-2-one
CID 89735186
1-(2,2-Dimethylpropyl)-5-[3-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 89735510
1-(2,2-Dimethylpropyl)-3-methyl-5-(3-methylphenyl)imidazo[4,5-b]pyridin-2-one
CID 89735528
1-(2,2-Dimethylpropyl)-5-(2-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 89735654
1-(2,2-Dimethylpropyl)-3-methyl-5-(4-methylphenyl)imidazo[4,5-b]pyridin-2-one
CID 89735684
6-[3-(hydroxymethyl)phenyl]-1-methyl-3H-imidazo[4,5-b]pyridin-2-one
CID 56950864

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 89497771) is 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(CO)cc3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZTAMWONLUMEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2,3)12-22-16-10-9-15(20-17(16)21(4)18(22)24)14-7-5-13(11-23)6-8-14/h5-10,23H,11-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5-[4-(hydroxymethyl)phenyl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 89497771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).