1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone

C22H25N3O — CID 23003804

IUPAC1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
SMILESCN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3cccc(N)c3)cc12
InChIInChI=1S/C22H25N3O/c1-25-9-3-6-19(25)13-17-14-24-21-8-7-15(10-20(17)21)11-22(26)16-4-2-5-18(23)12-16/h2,4-5,7-8,10,12,14,19,24H,3,6,9,11,13,23H2,1H3
InChIKeyAPKKRSRBWDBION-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone

1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone (PubChem CID 23003804) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
PubChem CID23003804
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
SMILESCN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3cccc(N)c3)cc12
InChIInChI=1S/C22H25N3O/c1-25-9-3-6-19(25)13-17-14-24-21-8-7-15(10-20(17)21)11-22(26)16-4-2-5-18(23)12-16/h2,4-5,7-8,10,12,14,19,24H,3,6,9,11,13,23H2,1H3
InChIKeyAPKKRSRBWDBION-UHFFFAOYSA-N
XLogP3.81
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
1-(2,5-dibromophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003831
1-(2-methoxyphenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003773
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
1-(2,4-dichlorophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003786
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;[methyl(sulfinato)amino]methane
CID 19421876
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
2-methyl-5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]pentan-2-ol
CID 22870340
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone (CID 23003804) is 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone is CN1CCCC1Cc1c[nH]c2ccc(CC(=O)c3cccc(N)c3)cc12.
What is the InChIKey of 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone?
The InChIKey is APKKRSRBWDBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25-9-3-6-19(25)13-17-14-24-21-8-7-15(10-20(17)21)11-22(26)16-4-2-5-18(23)12-16/h2,4-5,7-8,10,12,14,19,24H,3,6,9,11,13,23H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone?
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone is sourced from PubChem (CID 23003804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).