ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol

C25H21F4N3O — CID 143372133

IUPACethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
SMILESCC.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H15F4N3O.C2H6/c24-16-6-8-17(9-7-16)30-21-10-5-15(11-14(21)12-29-30)22(31,23(25,26)27)19-13-28-20-4-2-1-3-18(19)20;1-2/h1-13,28,31H;1-2H3
InChIKeyMSWKZXJFLQXRNX-UHFFFAOYSA-N
MW455.46 g/mol
LogP6.47
Rot. Bonds3

About ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol

ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol (PubChem CID 143372133) has the molecular formula C25H21F4N3O and a molecular weight of 455.46 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
PubChem CID143372133
Molecular FormulaC25H21F4N3O
Molecular Weight455.46 g/mol
Exact Mass455.16
IUPAC Nameethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
SMILESCC.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C23H15F4N3O.C2H6/c24-16-6-8-17(9-7-16)30-21-10-5-15(11-14(21)12-29-30)22(31,23(25,26)27)19-13-28-20-4-2-1-3-18(19)20;1-2/h1-13,28,31H;1-2H3
InChIKeyMSWKZXJFLQXRNX-UHFFFAOYSA-N
XLogP6.47
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290
tert-butyl 4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-indole-3-carboxylate
CID 91436109
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
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236
2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 150261735
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]ethanol
CID 24962381
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
2,2,2-trifluoro-1-[4-(methylamino)naphthalen-1-yl]-1-(1-phenylindazol-5-yl)ethanol
CID 15979157
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]ethanol
CID 24962380

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol?
The IUPAC name of ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol (CID 143372133) is ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol?
The canonical SMILES for ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol is CC.OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol?
The InChIKey is MSWKZXJFLQXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O.C2H6/c24-16-6-8-17(9-7-16)30-21-10-5-15(11-14(21)12-29-30)22(31,23(25,26)27)19-13-28-20-4-2-1-3-18(19)20;1-2/h1-13,28,31H;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol?
ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol has a molecular weight of 455.46 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 143372133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).