1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile

C23H21FN4O — CID 42748339

IUPAC1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
SMILESCc1ccccc1N1CCN(C(=O)c2c(C#N)ccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN4O/c1-17-4-2-3-5-21(17)26-12-14-27(15-13-26)23(29)22-18(16-25)10-11-28(22)20-8-6-19(24)7-9-20/h2-11H,12-15H2,1H3
InChIKeyMDAJGXNVPPQFNY-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.76
Rot. Bonds3

About 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile

1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile (PubChem CID 42748339) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
PubChem CID42748339
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
SMILESCc1ccccc1N1CCN(C(=O)c2c(C#N)ccn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN4O/c1-17-4-2-3-5-21(17)26-12-14-27(15-13-26)23(29)22-18(16-25)10-11-28(22)20-8-6-19(24)7-9-20/h2-11H,12-15H2,1H3
InChIKeyMDAJGXNVPPQFNY-UHFFFAOYSA-N
XLogP3.76
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-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

1-(3-chloro-4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
CID 42748843
1-(2,3-dimethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile
CID 4301946
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile
CID 42748337
1-(2,4-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
CID 42749029
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
2-(4-ethylpiperazine-1-carbonyl)-1-phenylpyrrole-3-carbonitrile
CID 42749062
2-(4-benzhydrylpiperazine-1-carbonyl)-1-(2,3-dimethylphenyl)pyrrole-3-carbonitrile
CID 42748975
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
1-(2,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile
CID 3434352
2-(4-acetylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrole-3-carbonitrile
CID 42749026
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile (CID 42748339) is 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile is Cc1ccccc1N1CCN(C(=O)c2c(C#N)ccn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile?
The InChIKey is MDAJGXNVPPQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-17-4-2-3-5-21(17)26-12-14-27(15-13-26)23(29)22-18(16-25)10-11-28(22)20-8-6-19(24)7-9-20/h2-11H,12-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile?
1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile has a molecular weight of 388.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrole-3-carbonitrile is sourced from PubChem (CID 42748339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).