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

C24H18F3N3O — CID 141157758

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ccccc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H18F3N3O/c1-15-6-9-18(10-7-15)30-22-11-8-17(12-16(22)13-29-30)23(31,24(25,26)27)20-14-28-21-5-3-2-4-19(20)21/h2-14,28,31H,1H3
InChIKeyZDEOUOPNOIVWHN-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.61
Rot. Bonds3

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

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol (PubChem CID 141157758) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
PubChem CID141157758
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ccccc45)C(F)(F)F)ccc32)cc1
InChIInChI=1S/C24H18F3N3O/c1-15-6-9-18(10-7-15)30-22-11-8-17(12-16(22)13-29-30)23(31,24(25,26)27)20-14-28-21-5-3-2-4-19(20)21/h2-14,28,31H,1H3
InChIKeyZDEOUOPNOIVWHN-UHFFFAOYSA-N
XLogP5.61
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 150915440
2,2,2-trifluoro-1-[4-(methylamino)naphthalen-1-yl]-1-(1-phenylindazol-5-yl)ethanol
CID 15979157
tert-butyl 4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-1H-indole-3-carboxylate
CID 91436109
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
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-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-3-yl]ethanol
CID 24962381
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980497

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol (CID 141157758) is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol is Cc1ccc(-n2ncc3cc(C(O)(c4c[nH]c5ccccc45)C(F)(F)F)ccc32)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The InChIKey is ZDEOUOPNOIVWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c1-15-6-9-18(10-7-15)30-22-11-8-17(12-16(22)13-29-30)23(31,24(25,26)27)20-14-28-21-5-3-2-4-19(20)21/h2-14,28,31H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol has a molecular weight of 421.42 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol is sourced from PubChem (CID 141157758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).