5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

C22H26N4O — CID 123220377

IUPAC5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3C=CC4C5N=CC=CC45C3)nc21
InChIInChI=1S/C22H26N4O/c1-21(2,3)13-26-17-9-8-16(24-19(17)25(4)20(26)27)14-6-7-15-18-22(15,12-14)10-5-11-23-18/h5-11,14-15,18H,12-13H2,1-4H3
InChIKeyAGOYKHYHKZSEGB-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.45
Rot. Bonds2

About 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 123220377) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID123220377
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3C=CC4C5N=CC=CC45C3)nc21
InChIInChI=1S/C22H26N4O/c1-21(2,3)13-26-17-9-8-16(24-19(17)25(4)20(26)27)14-6-7-15-18-22(15,12-14)10-5-11-23-18/h5-11,14-15,18H,12-13H2,1-4H3
InChIKeyAGOYKHYHKZSEGB-UHFFFAOYSA-N
XLogP3.45
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
1-(2,2-dimethylpropyl)-3-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 54761056
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123617562
1-(2,2-dimethylpropyl)-5-(3-isocyanopropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123800623
1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 71116752
1-(2,2-dimethylpropyl)-3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]oct-5-en-5-yl)imidazo[4,5-b]pyridin-2-one
CID 71135235
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 71116975
benzyl-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohexyl]carbamic acid
CID 135220791
5-[5-(bromomethyl)-2-methylphenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691860
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
CID 71117105
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 71136217

Frequently Asked Questions

What is the IUPAC name of 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 123220377) is 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3C=CC4C5N=CC=CC45C3)nc21.
What is the InChIKey of 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is AGOYKHYHKZSEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-21(2,3)13-26-17-9-8-16(24-19(17)25(4)20(26)27)14-6-7-15-18-22(15,12-14)10-5-11-23-18/h5-11,14-15,18H,12-13H2,1-4H3.
What are the key properties of 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one?
5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 362.48 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123220377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).