4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide

C22H27FN4O — CID 3691039

IUPAC4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C22H27FN4O/c1-3-4-5-9-19-21(16-7-6-8-17(23)12-16)20(22(24)28)15(2)27(19)11-10-18-13-25-14-26-18/h6-8,12-14H,3-5,9-11H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyFLJCOHQERUAIPQ-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.40
Rot. Bonds9

About 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide

4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide (PubChem CID 3691039) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
PubChem CID3691039
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C22H27FN4O/c1-3-4-5-9-19-21(16-7-6-8-17(23)12-16)20(22(24)28)15(2)27(19)11-10-18-13-25-14-26-18/h6-8,12-14H,3-5,9-11H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyFLJCOHQERUAIPQ-UHFFFAOYSA-N
XLogP4.40
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide 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

4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3849110
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3831204
5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3254803
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3741634
1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3445576
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
CID 3746110

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide (CID 3691039) is 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The InChIKey is FLJCOHQERUAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-3-4-5-9-19-21(16-7-6-8-17(23)12-16)20(22(24)28)15(2)27(19)11-10-18-13-25-14-26-18/h6-8,12-14H,3-5,9-11H2,1-2H3,(H2,24,28)(H,25,26).
What are the key properties of 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3691039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).