6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine

C25H17ClF3N3O — CID 10344538

IUPAC6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNc3n[nH]c4cc(Cl)c(-c5ccccc5)cc34)o2)cc1
InChIInChI=1S/C25H17ClF3N3O/c26-21-13-22-20(12-19(21)15-4-2-1-3-5-15)24(32-31-22)30-14-18-10-11-23(33-18)16-6-8-17(9-7-16)25(27,28)29/h1-13H,14H2,(H2,30,31,32)
InChIKeyZRBXTUWHJKPLCD-UHFFFAOYSA-N
MW467.88 g/mol
LogP7.77
Rot. Bonds5

About 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine

6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine (PubChem CID 10344538) has the molecular formula C25H17ClF3N3O and a molecular weight of 467.88 g/mol. Its IUPAC name is 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine
PubChem CID10344538
Molecular FormulaC25H17ClF3N3O
Molecular Weight467.88 g/mol
Exact Mass467.10
IUPAC Name6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine
SMILESFC(F)(F)c1ccc(-c2ccc(CNc3n[nH]c4cc(Cl)c(-c5ccccc5)cc34)o2)cc1
InChIInChI=1S/C25H17ClF3N3O/c26-21-13-22-20(12-19(21)15-4-2-1-3-5-15)24(32-31-22)30-14-18-10-11-23(33-18)16-6-8-17(9-7-16)25(27,28)29/h1-13H,14H2,(H2,30,31,32)
InChIKeyZRBXTUWHJKPLCD-UHFFFAOYSA-N
XLogP7.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.88
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine?
The IUPAC name of 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine (CID 10344538) is 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine is FC(F)(F)c1ccc(-c2ccc(CNc3n[nH]c4cc(Cl)c(-c5ccccc5)cc34)o2)cc1.
What is the InChIKey of 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine?
The InChIKey is ZRBXTUWHJKPLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF3N3O/c26-21-13-22-20(12-19(21)15-4-2-1-3-5-15)24(32-31-22)30-14-18-10-11-23(33-18)16-6-8-17(9-7-16)25(27,28)29/h1-13H,14H2,(H2,30,31,32).
What are the key properties of 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine?
6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine has a molecular weight of 467.88 g/mol, XLogP of 7.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]-1H-indazol-3-amine is sourced from PubChem (CID 10344538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).