4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C21H15F2N3OS — CID 59797339

IUPAC4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3OS/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+
InChIKeyUMOUPDQXWNRXBY-SOFGYWHQSA-N
MW395.43 g/mol
LogP5.00
Rot. Bonds5

About 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 59797339) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID59797339
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3OS/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+
InChIKeyUMOUPDQXWNRXBY-SOFGYWHQSA-N
XLogP5.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide 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-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 59797339) is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1cccs1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.
What is the InChIKey of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is UMOUPDQXWNRXBY-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+.
What are the key properties of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).