1,3-ditert-butylimidazo[4,5-b]pyridin-2-one

C14H21N3O — CID 177289044

IUPAC1,3-ditert-butylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)n1c(=O)n(C(C)(C)C)c2ncccc21
InChIInChI=1S/C14H21N3O/c1-13(2,3)16-10-8-7-9-15-11(10)17(12(16)18)14(4,5)6/h7-9H,1-6H3
InChIKeyGKCLFCPLRIETIQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds

About 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one

1,3-ditert-butylimidazo[4,5-b]pyridin-2-one (PubChem CID 177289044) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-ditert-butylimidazo[4,5-b]pyridin-2-one
PubChem CID177289044
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1,3-ditert-butylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)(C)n1c(=O)n(C(C)(C)C)c2ncccc21
InChIInChI=1S/C14H21N3O/c1-13(2,3)16-10-8-7-9-15-11(10)17(12(16)18)14(4,5)6/h7-9H,1-6H3
InChIKeyGKCLFCPLRIETIQ-UHFFFAOYSA-N
XLogP2.71
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-ditert-butylquinazoline-2,4-dione
CID 69087292
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
CID 164662772
1,3-ditert-butylpyrido[3,2-d]pyrimidine-2,4-dione;1,3-ditert-butylpyrido[3,4-d]pyrimidine-2,4-dione;1,3-ditert-butylpyrido[4,3-d]pyrimidine-2,4-dione;1,3-ditert-butylquinazoline-2,4-dione
CID 160882249
lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
CID 156675221
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915
1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
CID 161246288
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622360
1-methyl-3-[2-(methylaminooxy)propan-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 134536405
1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one (CID 177289044) is 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one is CC(C)(C)n1c(=O)n(C(C)(C)C)c2ncccc21.
What is the InChIKey of 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GKCLFCPLRIETIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2,3)16-10-8-7-9-15-11(10)17(12(16)18)14(4,5)6/h7-9H,1-6H3.
What are the key properties of 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one?
1,3-ditert-butylimidazo[4,5-b]pyridin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 177289044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).