3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid

C29H35N3O3 — CID 6480906

IUPAC3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid
SMILESCN(C)C1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3cc(C(=O)O)ccc32)C1
InChIInChI=1S/C29H35N3O3/c1-30(2)23-15-16-31(18-23)26(33)19-32-25-14-13-22(29(34)35)17-24(25)27(20-9-5-3-6-10-20)28(32)21-11-7-4-8-12-21/h4,7-8,11-14,17,20,23H,3,5-6,9-10,15-16,18-19H2,1-2H3,(H,34,35)
InChIKeyFBZUTFDPQHOQHI-UHFFFAOYSA-N
MW473.62 g/mol
LogP5.22
Rot. Bonds6

About 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid

3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid (PubChem CID 6480906) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid
PubChem CID6480906
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid
SMILESCN(C)C1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3cc(C(=O)O)ccc32)C1
InChIInChI=1S/C29H35N3O3/c1-30(2)23-15-16-31(18-23)26(33)19-32-25-14-13-22(29(34)35)17-24(25)27(20-9-5-3-6-10-20)28(32)21-11-7-4-8-12-21/h4,7-8,11-14,17,20,23H,3,5-6,9-10,15-16,18-19H2,1-2H3,(H,34,35)
InChIKeyFBZUTFDPQHOQHI-UHFFFAOYSA-N
XLogP5.22
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid 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

1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
4'-[(2,3-Dimethyl-5-{[(1s)-1-Phenylpropyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
CID 44543661
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(3-fluoro-phenyl)-1H-indole-6-carboxylic acid
CID 5275448
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-p-tolyl-1H-indole-6-carboxylic acid
CID 5275449
4''-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 46233002
4'-((5-(benzylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 46233003
(R)-4'-((2,3-dimethyl-5-(1-phenylpropylcarbamoyl)-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 71074396
(R)-4'-((5-(1-(4-fluorophenyl)ethylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 71074929
4'-((5-(benzhydrylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid
CID 71075168
1,2,3-Trimethyl-1H-indole-5-carboxylic acid
CID 609042
1'-[(3-Methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carboxylic acid
CID 57388001
1'-[(6-Methyl-2-pyridinyl)methyl]-2-oxo-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-5-carboxylic acid
CID 76310612

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid (CID 6480906) is 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid is CN(C)C1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3cc(C(=O)O)ccc32)C1.
What is the InChIKey of 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid?
The InChIKey is FBZUTFDPQHOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-30(2)23-15-16-31(18-23)26(33)19-32-25-14-13-22(29(34)35)17-24(25)27(20-9-5-3-6-10-20)28(32)21-11-7-4-8-12-21/h4,7-8,11-14,17,20,23H,3,5-6,9-10,15-16,18-19H2,1-2H3,(H,34,35).
What are the key properties of 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid?
3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid has a molecular weight of 473.62 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylindole-5-carboxylic acid is sourced from PubChem (CID 6480906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).