4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C24H26N2O — CID 10316372

IUPAC4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCc1[nH]c2ccccc2c1CCCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H26N2O/c1-18-21(22-10-5-6-12-23(22)25-18)11-7-13-24(27)26-16-14-20(15-17-26)19-8-3-2-4-9-19/h2-6,8-10,12,14,25H,7,11,13,15-17H2,1H3
InChIKeyIPNSJHWIAPTYIM-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.11
Rot. Bonds5

About 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 10316372) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID10316372
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCc1[nH]c2ccccc2c1CCCC(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H26N2O/c1-18-21(22-10-5-6-12-23(22)25-18)11-7-13-24(27)26-16-14-20(15-17-26)19-8-3-2-4-9-19/h2-6,8-10,12,14,25H,7,11,13,15-17H2,1H3
InChIKeyIPNSJHWIAPTYIM-UHFFFAOYSA-N
XLogP5.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
3-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 156584056
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9017616
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 18125090
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 10316372) is 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is Cc1[nH]c2ccccc2c1CCCC(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is IPNSJHWIAPTYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18-21(22-10-5-6-12-23(22)25-18)11-7-13-24(27)26-16-14-20(15-17-26)19-8-3-2-4-9-19/h2-6,8-10,12,14,25H,7,11,13,15-17H2,1H3.
What are the key properties of 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 358.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 10316372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).