[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C27H28ClN3O2 — CID 3990372

IUPAC[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1C
InChIInChI=1S/C27H28ClN3O2/c1-18-5-3-4-6-24(18)31-19(2)23(17-25(31)20-9-11-22(28)12-10-20)27(33)30-15-13-29(14-16-30)26(32)21-7-8-21/h3-6,9-12,17,21H,7-8,13-16H2,1-2H3
InChIKeyAYKDLQKRFSRKRV-UHFFFAOYSA-N
MW461.99 g/mol
LogP5.11
Rot. Bonds4

About [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 3990372) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID3990372
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1C
InChIInChI=1S/C27H28ClN3O2/c1-18-5-3-4-6-24(18)31-19(2)23(17-25(31)20-9-11-22(28)12-10-20)27(33)30-15-13-29(14-16-30)26(32)21-7-8-21/h3-6,9-12,17,21H,7-8,13-16H2,1-2H3
InChIKeyAYKDLQKRFSRKRV-UHFFFAOYSA-N
XLogP5.11
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone 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

[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213356
1-[4-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 24718477
cyclohexyl-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42791959
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 7213262
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrol-3-yl]methanone
CID 46126567
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876
1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
CID 42785626
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 46126620
[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 3899954
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874
(3-chlorophenyl)-[4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42666443

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 3990372) is [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1C.
What is the InChIKey of [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is AYKDLQKRFSRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-18-5-3-4-6-24(18)31-19(2)23(17-25(31)20-9-11-22(28)12-10-20)27(33)30-15-13-29(14-16-30)26(32)21-7-8-21/h3-6,9-12,17,21H,7-8,13-16H2,1-2H3.
What are the key properties of [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 461.99 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 3990372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).