6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

C26H16BrF3N4O2S — CID 46235620

IUPAC6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)n[nH]c3c2)cc1)c1ccc(Br)s1
InChIInChI=1S/C26H16BrF3N4O2S/c27-22-11-10-21(37-22)24(35)31-17-7-4-14(5-8-17)15-6-9-19-20(12-15)33-34-23(19)25(36)32-18-3-1-2-16(13-18)26(28,29)30/h1-13H,(H,31,35)(H,32,36)(H,33,34)
InChIKeyLRIUJXDSDGKTQY-UHFFFAOYSA-N
MW585.41 g/mol
LogP7.58
Rot. Bonds5

About 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide

6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 46235620) has the molecular formula C26H16BrF3N4O2S and a molecular weight of 585.41 g/mol. Its IUPAC name is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID46235620
Molecular FormulaC26H16BrF3N4O2S
Molecular Weight585.41 g/mol
Exact Mass584.01
IUPAC Name6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)n[nH]c3c2)cc1)c1ccc(Br)s1
InChIInChI=1S/C26H16BrF3N4O2S/c27-22-11-10-21(37-22)24(35)31-17-7-4-14(5-8-17)15-6-9-19-20(12-15)33-34-23(19)25(36)32-18-3-1-2-16(13-18)26(28,29)30/h1-13H,(H,31,35)(H,32,36)(H,33,34)
InChIKeyLRIUJXDSDGKTQY-UHFFFAOYSA-N
XLogP7.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.41
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (CID 46235620) is 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)n[nH]c3c2)cc1)c1ccc(Br)s1.
What is the InChIKey of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is LRIUJXDSDGKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrF3N4O2S/c27-22-11-10-21(37-22)24(35)31-17-7-4-14(5-8-17)15-6-9-19-20(12-15)33-34-23(19)25(36)32-18-3-1-2-16(13-18)26(28,29)30/h1-13H,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide?
6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 585.41 g/mol, XLogP of 7.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]-N-[3-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 46235620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).