4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide

C27H21FN4O2S — CID 145137203

IUPAC4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
SMILESNC(=O)c1ccc(-n2c(-c3ccc(-n4ccnc4)cc3F)cc3sc(C(=O)C4CCC4)cc32)cc1
InChIInChI=1S/C27H21FN4O2S/c28-21-12-19(31-11-10-30-15-31)8-9-20(21)22-13-24-23(14-25(35-24)26(33)16-2-1-3-16)32(22)18-6-4-17(5-7-18)27(29)34/h4-16H,1-3H2,(H2,29,34)
InChIKeyAKLHDCBBXXJBBN-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.77
Rot. Bonds6

About 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide

4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide (PubChem CID 145137203) has the molecular formula C27H21FN4O2S and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
PubChem CID145137203
Molecular FormulaC27H21FN4O2S
Molecular Weight484.56 g/mol
Exact Mass484.14
IUPAC Name4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
SMILESNC(=O)c1ccc(-n2c(-c3ccc(-n4ccnc4)cc3F)cc3sc(C(=O)C4CCC4)cc32)cc1
InChIInChI=1S/C27H21FN4O2S/c28-21-12-19(31-11-10-30-15-31)8-9-20(21)22-13-24-23(14-25(35-24)26(33)16-2-1-3-16)32(22)18-6-4-17(5-7-18)27(29)34/h4-16H,1-3H2,(H2,29,34)
InChIKeyAKLHDCBBXXJBBN-UHFFFAOYSA-N
XLogP5.77
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The IUPAC name of 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide (CID 145137203) is 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide.
What is the SMILES notation for 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The canonical SMILES for 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide is NC(=O)c1ccc(-n2c(-c3ccc(-n4ccnc4)cc3F)cc3sc(C(=O)C4CCC4)cc32)cc1.
What is the InChIKey of 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
The InChIKey is AKLHDCBBXXJBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2S/c28-21-12-19(31-11-10-30-15-31)8-9-20(21)22-13-24-23(14-25(35-24)26(33)16-2-1-3-16)32(22)18-6-4-17(5-7-18)27(29)34/h4-16H,1-3H2,(H2,29,34).
What are the key properties of 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide?
4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide has a molecular weight of 484.56 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide is sourced from PubChem (CID 145137203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).