2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

C23H16F3N3O — CID 150261735

IUPAC2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESOC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H16F3N3O/c24-13-23(30,20-12-27-21-7-4-17(26)10-19(20)21)15-1-8-22-14(9-15)11-28-29(22)18-5-2-16(25)3-6-18/h1-12,27,30H,13H2
InChIKeyGBRSOWNZYQUQMV-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.99
Rot. Bonds4

About 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol

2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (PubChem CID 150261735) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
PubChem CID150261735
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
SMILESOC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C23H16F3N3O/c24-13-23(30,20-12-27-21-7-4-17(26)10-19(20)21)15-1-8-22-14(9-15)11-28-29(22)18-5-2-16(25)3-6-18/h1-12,27,30H,13H2
InChIKeyGBRSOWNZYQUQMV-UHFFFAOYSA-N
XLogP4.99
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 150915440
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-4-yl)ethanol
CID 174540095
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
CID 143371983
7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135907850
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 151196257
tert-butyl 4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-indole-3-carboxylate
CID 91436109
1-amino-1-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]-3-phenylpropan-2-ol
CID 150429566
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The IUPAC name of 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol (CID 150261735) is 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol.
What is the SMILES notation for 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The canonical SMILES for 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is OC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
The InChIKey is GBRSOWNZYQUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-13-23(30,20-12-27-21-7-4-17(26)10-19(20)21)15-1-8-22-14(9-15)11-28-29(22)18-5-2-16(25)3-6-18/h1-12,27,30H,13H2.
What are the key properties of 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol?
2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol has a molecular weight of 407.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol is sourced from PubChem (CID 150261735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).