5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride

C27H34Cl2N4O — CID 45279383

IUPAC5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(Cl)cc4)[nH]c3C)CC2)c1C.Cl
InChIInChI=1S/C27H33ClN4O.ClH/c1-19-6-4-7-26(20(19)2)32-16-14-31(15-17-32)13-5-12-29-27(33)24-18-25(30-21(24)3)22-8-10-23(28)11-9-22;/h4,6-11,18,30H,5,12-17H2,1-3H3,(H,29,33);1H
InChIKeyXMJXEWWTSPGULA-UHFFFAOYSA-N
MW501.50 g/mol
LogP5.62
Rot. Bonds7

About 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride

5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 45279383) has the molecular formula C27H34Cl2N4O and a molecular weight of 501.50 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID45279383
Molecular FormulaC27H34Cl2N4O
Molecular Weight501.50 g/mol
Exact Mass500.21
IUPAC Name5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(Cl)cc4)[nH]c3C)CC2)c1C.Cl
InChIInChI=1S/C27H33ClN4O.ClH/c1-19-6-4-7-26(20(19)2)32-16-14-31(15-17-32)13-5-12-29-27(33)24-18-25(30-21(24)3)22-8-10-23(28)11-9-22;/h4,6-11,18,30H,5,12-17H2,1-3H3,(H,29,33);1H
InChIKeyXMJXEWWTSPGULA-UHFFFAOYSA-N
XLogP5.62
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride 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

SU-11652
CID 5329103
4-(2-Chlorophenyl)-7-[(4-Methylpiperazin-1-Yl)carbonyl]-9h-Carbazole-1-Carboxamide
CID 91885524
3-(4-chlorophenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604914
2-Chlororutaecarpine
CID 135492463
2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxo-acetamide
CID 11167242
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-2-(2,3-dimethylanilino)benzamide
CID 73345915
N-[6-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]butylamino]-6-oxohexyl]-2-(2,3-dimethylanilino)benzamide
CID 73347432
N-[8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]-2-(2,3-dimethylanilino)benzamide
CID 73350528
9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619646
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 11957773
3-(aminomethyl)-6-benzyl-4-(2,4-dichlorophenyl)-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 15950458
3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-6-(2-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
CID 15950539

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride (CID 45279383) is 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride is Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(Cl)cc4)[nH]c3C)CC2)c1C.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is XMJXEWWTSPGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O.ClH/c1-19-6-4-7-26(20(19)2)32-16-14-31(15-17-32)13-5-12-29-27(33)24-18-25(30-21(24)3)22-8-10-23(28)11-9-22;/h4,6-11,18,30H,5,12-17H2,1-3H3,(H,29,33);1H.
What are the key properties of 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride?
5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 501.50 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 45279383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).