4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide

C20H16ClFN4OS — CID 56799170

IUPAC4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F
InChIInChI=1S/C20H16ClFN4OS/c1-12-24-6-7-26(12)17-3-2-13(8-16(17)22)9-25-20(27)15-11-23-10-14(15)18-4-5-19(21)28-18/h2-8,10-11,23H,9H2,1H3,(H,25,27)
InChIKeyFWAIWSAMFUKELE-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.96
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 56799170) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide
PubChem CID56799170
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F
InChIInChI=1S/C20H16ClFN4OS/c1-12-24-6-7-26(12)17-3-2-13(8-16(17)22)9-25-20(27)15-11-23-10-14(15)18-4-5-19(21)28-18/h2-8,10-11,23H,9H2,1H3,(H,25,27)
InChIKeyFWAIWSAMFUKELE-UHFFFAOYSA-N
XLogP4.96
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-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-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 44526241
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11248439
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 11397605
3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
CID 118453994
3-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463781
2-(5-chlorothiophen-2-yl)-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463813
US20230322767, Example 122
CID 162686979
4-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluoro-N-methyl-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]benzamide
CID 126962500
2-chloro-6-fluoro-N-{2-[4-(thiophen-2-yl)-1H-imidazol-2-yl]ethyl}benzamide
CID 72717255
2-(5-chlorothiophen-2-yl)-N-[3-(1H-imidazol-1-yl)propyl]quinoline-4-carboxamide
CID 2931050
5-chloro-N-(4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl)thiophene-2-carboxamide
CID 71797972
3-[2-(5-chloro-2-thienyl)-1H-imidazol-1-yl]-N-methylbenzamide
CID 56704735

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide (CID 56799170) is 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FWAIWSAMFUKELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c1-12-24-6-7-26(12)17-3-2-13(8-16(17)22)9-25-20(27)15-11-23-10-14(15)18-4-5-19(21)28-18/h2-8,10-11,23H,9H2,1H3,(H,25,27).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56799170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).