2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one

C19H23N3O — CID 70094189

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one
SMILESCc1cc(C)c2c(c1)cc1n2CN(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C19H23N3O/c1-12-7-13(2)18-15(8-12)9-16-19(23)22(11-21(16)18)17-10-20-5-3-14(17)4-6-20/h7-9,14,17H,3-6,10-11H2,1-2H3
InChIKeyHVSHOWPSANYOJO-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.77
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one

2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one (PubChem CID 70094189) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one
PubChem CID70094189
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one
SMILESCc1cc(C)c2c(c1)cc1n2CN(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C19H23N3O/c1-12-7-13(2)18-15(8-12)9-16-19(23)22(11-21(16)18)17-10-20-5-3-14(17)4-6-20/h7-9,14,17H,3-6,10-11H2,1-2H3
InChIKeyHVSHOWPSANYOJO-UHFFFAOYSA-N
XLogP2.77
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one with MolForge

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Related Compounds

2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3H-benzo[de]isoquinolin-1-one
CID 11779116
1-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazepane-2,5-dione
CID 64958025
6-amino-2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methylbenzo[de]isoquinoline-1,3-dione
CID 142101682
1-(1-azabicyclo[2.2.2]octan-3-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64957953
N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60924563
2-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-3H-imidazo[1,5-a]indol-1-one
CID 19042949
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-methoxy-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 66898172
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776817
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]isoindole-1,3-dione
CID 18645244
5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one
CID 11688146
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 45264684
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-hydroxy-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;hydrochloride
CID 70896236

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one (CID 70094189) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one is Cc1cc(C)c2c(c1)cc1n2CN(C2CN3CCC2CC3)C1=O.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one?
The InChIKey is HVSHOWPSANYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12-7-13(2)18-15(8-12)9-16-19(23)22(11-21(16)18)17-10-20-5-3-14(17)4-6-20/h7-9,14,17H,3-6,10-11H2,1-2H3.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one?
2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one has a molecular weight of 309.41 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-6,8-dimethyl-1H-imidazo[1,5-a]indol-3-one is sourced from PubChem (CID 70094189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).