4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C24H26N2O2 — CID 10384807

IUPAC4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCOc1ccc2[nH]cc(CCCC(=O)N3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H26N2O2/c1-28-21-10-11-23-22(16-21)20(17-25-23)8-5-9-24(27)26-14-12-19(13-15-26)18-6-3-2-4-7-18/h2-4,6-7,10-12,16-17,25H,5,8-9,13-15H2,1H3
InChIKeyDWNKNFDUZSHEOS-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.82
Rot. Bonds6

About 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 10384807) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID10384807
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCOc1ccc2[nH]cc(CCCC(=O)N3CC=C(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H26N2O2/c1-28-21-10-11-23-22(16-21)20(17-25-23)8-5-9-24(27)26-14-12-19(13-15-26)18-6-3-2-4-7-18/h2-4,6-7,10-12,16-17,25H,5,8-9,13-15H2,1H3
InChIKeyDWNKNFDUZSHEOS-UHFFFAOYSA-N
XLogP4.82
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one with MolForge

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Related Compounds

3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
2-[(5-hydroxy-1H-indol-3-yl)methylsulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 57320278
4-(5,6-dimethyl-1H-indol-3-yl)-1-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 13327020
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
4-(2-methyl-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10316372
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2-(1H-indol-3-yl)acetate
CID 9017616
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one
CID 164980909
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methylphenyl)methanone
CID 39545583
2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
CID 67713328
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 26419222

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 10384807) is 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is COc1ccc2[nH]cc(CCCC(=O)N3CC=C(c4ccccc4)CC3)c2c1.
What is the InChIKey of 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is DWNKNFDUZSHEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-21-10-11-23-22(16-21)20(17-25-23)8-5-9-24(27)26-14-12-19(13-15-26)18-6-3-2-4-7-18/h2-4,6-7,10-12,16-17,25H,5,8-9,13-15H2,1H3.
What are the key properties of 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 10384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).