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

C24H19F2N3O — CID 150915440

IUPAC2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
SMILESCc1ccc2[nH]cc(C(O)(CF)c3ccc4c(cnn4-c4ccc(F)cc4)c3)c2c1
InChIInChI=1S/C24H19F2N3O/c1-15-2-8-22-20(10-15)21(13-27-22)24(30,14-25)17-3-9-23-16(11-17)12-28-29(23)19-6-4-18(26)5-7-19/h2-13,27,30H,14H2,1H3
InChIKeyLCWSZKKTPPRDBI-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.16
Rot. Bonds4

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

2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol (PubChem CID 150915440) has the molecular formula C24H19F2N3O and a molecular weight of 403.43 g/mol. Its IUPAC name is 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
PubChem CID150915440
Molecular FormulaC24H19F2N3O
Molecular Weight403.43 g/mol
Exact Mass403.15
IUPAC Name2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
SMILESCc1ccc2[nH]cc(C(O)(CF)c3ccc4c(cnn4-c4ccc(F)cc4)c3)c2c1
InChIInChI=1S/C24H19F2N3O/c1-15-2-8-22-20(10-15)21(13-27-22)24(30,14-25)17-3-9-23-16(11-17)12-28-29(23)19-6-4-18(26)5-7-19/h2-13,27,30H,14H2,1H3
InChIKeyLCWSZKKTPPRDBI-UHFFFAOYSA-N
XLogP5.16
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-(5-fluoro-1H-indol-3-yl)-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 150261735
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
1-(4-methylphenyl)-5-[2,2,2-trifluoro-1-(5-fluoro-1H-indol-3-yl)ethyl]indazole
CID 143371983
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
CID 141205017
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-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236
1-[N-(aminomethyl)anilino]-3-fluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-ol
CID 151196257
3-[1,1,1-trifluoro-2-[1-(4-fluorophenyl)indazol-5-yl]propan-2-yl]benzene-1,2-diamine
CID 91060802

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol (CID 150915440) is 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol is Cc1ccc2[nH]cc(C(O)(CF)c3ccc4c(cnn4-c4ccc(F)cc4)c3)c2c1.
What is the InChIKey of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The InChIKey is LCWSZKKTPPRDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O/c1-15-2-8-22-20(10-15)21(13-27-22)24(30,14-25)17-3-9-23-16(11-17)12-28-29(23)19-6-4-18(26)5-7-19/h2-13,27,30H,14H2,1H3.
What are the key properties of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol has a molecular weight of 403.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(5-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 150915440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).