2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde

C23H24N2O2 — CID 177435439

IUPAC2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde
SMILESO=Cc1c(CC(=O)C2CCCCCC2)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-16-19-18-11-5-6-12-20(18)25(23-13-7-8-14-24-23)21(19)15-22(27)17-9-3-1-2-4-10-17/h5-8,11-14,16-17H,1-4,9-10,15H2
InChIKeyHSSHOEYJBAVVRY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.92
Rot. Bonds5

About 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde

2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde (PubChem CID 177435439) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde
PubChem CID177435439
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde
SMILESO=Cc1c(CC(=O)C2CCCCCC2)n(-c2ccccn2)c2ccccc12
InChIInChI=1S/C23H24N2O2/c26-16-19-18-11-5-6-12-20(18)25(23-13-7-8-14-24-23)21(19)15-22(27)17-9-3-1-2-4-10-17/h5-8,11-14,16-17H,1-4,9-10,15H2
InChIKeyHSSHOEYJBAVVRY-UHFFFAOYSA-N
XLogP4.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
1-cyclohexyl-2-(3-methyl-2-pyridinyl)ethanone
CID 66448021
2-(3,3-difluoroprop-2-enyl)-3-methyl-1-pyridin-2-ylindole
CID 177434344
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
6-cyclohexyl-1-pyridin-2-ylpyridin-2-one
CID 178081614
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
1-cyclohexyl-2-(3-pyrimidin-2-ylfuran-2-yl)ethanone
CID 138970113
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
CID 72723755
2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
CID 132502686
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde?
The IUPAC name of 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde (CID 177435439) is 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde.
What is the SMILES notation for 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde?
The canonical SMILES for 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde is O=Cc1c(CC(=O)C2CCCCCC2)n(-c2ccccn2)c2ccccc12.
What is the InChIKey of 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde?
The InChIKey is HSSHOEYJBAVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-16-19-18-11-5-6-12-20(18)25(23-13-7-8-14-24-23)21(19)15-22(27)17-9-3-1-2-4-10-17/h5-8,11-14,16-17H,1-4,9-10,15H2.
What are the key properties of 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde?
2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde has a molecular weight of 360.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde is sourced from PubChem (CID 177435439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).