(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

C25H24ClN3O — CID 126202735

IUPAC(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
SMILESCc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O/c1-17-23(14-19(15-27)25(30)28-21-6-2-3-7-21)22-8-4-5-9-24(22)29(17)16-18-10-12-20(26)13-11-18/h4-5,8-14,21H,2-3,6-7,16H2,1H3,(H,28,30)/b19-14-
InChIKeyZYQSSLCGJNTEHK-RGEXLXHISA-N
MW417.94 g/mol
LogP5.62
Rot. Bonds5

About (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide (PubChem CID 126202735) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
PubChem CID126202735
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
SMILESCc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O/c1-17-23(14-19(15-27)25(30)28-21-6-2-3-7-21)22-8-4-5-9-24(22)29(17)16-18-10-12-20(26)13-11-18/h4-5,8-14,21H,2-3,6-7,16H2,1H3,(H,28,30)/b19-14-
InChIKeyZYQSSLCGJNTEHK-RGEXLXHISA-N
XLogP5.62
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide 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

(E)-2-cyano-N-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]prop-2-enamide
CID 35261623
(E)-2-cyano-3-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 6104029
(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-naphthalen-2-ylprop-2-enamide
CID 7084373
(Z)-3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 21212314
(Z)-3-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 39358595
3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 1493469
(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyano-N-cyclohexylprop-2-enamide
CID 8862072
(Z)-3-(1-benzyl-2-methylindol-3-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 19630538
ethyl 2-[[2-cyano-3-[1-[(2,4-dichlorophenyl)methyl]-2-methylindol-3-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3906574
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(Z)-2-cyano-3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 18531080
(E)-2-cyano-N-(2,5-dimethylpyrrol-1-yl)-3-(1-ethyl-2-methylindol-3-yl)prop-2-enamide
CID 126385982

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide?
The IUPAC name of (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide (CID 126202735) is (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide?
The canonical SMILES for (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide is Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide?
The InChIKey is ZYQSSLCGJNTEHK-RGEXLXHISA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-17-23(14-19(15-27)25(30)28-21-6-2-3-7-21)22-8-4-5-9-24(22)29(17)16-18-10-12-20(26)13-11-18/h4-5,8-14,21H,2-3,6-7,16H2,1H3,(H,28,30)/b19-14-.
What are the key properties of (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide?
(Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide has a molecular weight of 417.94 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-cyano-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 126202735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).