2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile

C30H35N3O — CID 70108714

IUPAC2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
SMILESCCn1c(CCC2CCCN2C(=O)C(c2ccccc2)C2CCCC2)cc2ccc(C#N)cc21
InChIInChI=1S/C30H35N3O/c1-2-32-27(20-25-15-14-22(21-31)19-28(25)32)17-16-26-13-8-18-33(26)30(34)29(24-11-6-7-12-24)23-9-4-3-5-10-23/h3-5,9-10,14-15,19-20,24,26,29H,2,6-8,11-13,16-18H2,1H3
InChIKeyXEAUGFSUETVSMT-UHFFFAOYSA-N
MW453.63 g/mol
LogP6.43
Rot. Bonds7

About 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile

2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile (PubChem CID 70108714) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile.

Molecular Properties

Compound Name2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
PubChem CID70108714
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
SMILESCCn1c(CCC2CCCN2C(=O)C(c2ccccc2)C2CCCC2)cc2ccc(C#N)cc21
InChIInChI=1S/C30H35N3O/c1-2-32-27(20-25-15-14-22(21-31)19-28(25)32)17-16-26-13-8-18-33(26)30(34)29(24-11-6-7-12-24)23-9-4-3-5-10-23/h3-5,9-10,14-15,19-20,24,26,29H,2,6-8,11-13,16-18H2,1H3
InChIKeyXEAUGFSUETVSMT-UHFFFAOYSA-N
XLogP6.43
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carboximidamide
CID 21251575
2-[2-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 20640434
butyl (2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 142674548
2-[2-[(2S)-1-[2-[(3S)-3-amino-2-oxoazepan-1-yl]acetyl]pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile
CID 11281981
2-[1-[2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]-4-methoxypyrrolidin-2-yl]butanoic acid
CID 70109387
ethyl 2-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]hexanoate
CID 70108452
ethyl 2-[2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]acetate
CID 70110063
2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid
CID 21251413
ethyl 2-[(2R,4R)-1-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]piperidine-1-carbonyl]-4-methoxypyrrolidin-2-yl]acetate
CID 70106527
1-ethyl-2-[2-[(2S)-1-[2-[(3S)-3-[ethyl(prop-2-enyl)amino]-2-oxopiperidin-1-yl]acetyl]pyrrolidin-2-yl]ethyl]indole-6-carbonitrile
CID 142642479
tert-butyl N-[2-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylcarbamate
CID 20640468
tert-butyl 3-[(2R)-2-[(2S)-2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 70107256

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The IUPAC name of 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile (CID 70108714) is 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile.
What is the SMILES notation for 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The canonical SMILES for 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile is CCn1c(CCC2CCCN2C(=O)C(c2ccccc2)C2CCCC2)cc2ccc(C#N)cc21.
What is the InChIKey of 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
The InChIKey is XEAUGFSUETVSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-2-32-27(20-25-15-14-22(21-31)19-28(25)32)17-16-26-13-8-18-33(26)30(34)29(24-11-6-7-12-24)23-9-4-3-5-10-23/h3-5,9-10,14-15,19-20,24,26,29H,2,6-8,11-13,16-18H2,1H3.
What are the key properties of 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile?
2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile has a molecular weight of 453.63 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-cyclopentyl-2-phenylacetyl)pyrrolidin-2-yl]ethyl]-1-ethylindole-6-carbonitrile is sourced from PubChem (CID 70108714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).