N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine

C17H12F3N3S — CID 130335344

IUPACN-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NCc2cccc3sccc23)c2cn[nH]c2c1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)11-6-14(13-9-22-23-15(13)7-11)21-8-10-2-1-3-16-12(10)4-5-24-16/h1-7,9,21H,8H2,(H,22,23)
InChIKeyMAZDHTQQFZZMRB-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.41
Rot. Bonds3

About N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine

N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine (PubChem CID 130335344) has the molecular formula C17H12F3N3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine
PubChem CID130335344
Molecular FormulaC17H12F3N3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine
SMILESFC(F)(F)c1cc(NCc2cccc3sccc23)c2cn[nH]c2c1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)11-6-14(13-9-22-23-15(13)7-11)21-8-10-2-1-3-16-12(10)4-5-24-16/h1-7,9,21H,8H2,(H,22,23)
InChIKeyMAZDHTQQFZZMRB-UHFFFAOYSA-N
XLogP5.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine?
The IUPAC name of N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine (CID 130335344) is N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine.
What is the SMILES notation for N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine?
The canonical SMILES for N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine is FC(F)(F)c1cc(NCc2cccc3sccc23)c2cn[nH]c2c1.
What is the InChIKey of N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine?
The InChIKey is MAZDHTQQFZZMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3S/c18-17(19,20)11-6-14(13-9-22-23-15(13)7-11)21-8-10-2-1-3-16-12(10)4-5-24-16/h1-7,9,21H,8H2,(H,22,23).
What are the key properties of N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine?
N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine has a molecular weight of 347.37 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-4-ylmethyl)-6-(trifluoromethyl)-1H-indazol-4-amine is sourced from PubChem (CID 130335344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).