2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol

C26H24FN3O2 — CID 150538851

IUPAC2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(CF)c4cn(CCO)c5ccccc45)ccc32)cc1
InChIInChI=1S/C26H24FN3O2/c1-18-6-9-21(10-7-18)30-24-11-8-20(14-19(24)15-28-30)26(32,17-27)23-16-29(12-13-31)25-5-3-2-4-22(23)25/h2-11,14-16,31-32H,12-13,17H2,1H3
InChIKeyIFKZIWPULXOJHE-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.49
Rot. Bonds6

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

2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol (PubChem CID 150538851) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Name2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
PubChem CID150538851
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
SMILESCc1ccc(-n2ncc3cc(C(O)(CF)c4cn(CCO)c5ccccc45)ccc32)cc1
InChIInChI=1S/C26H24FN3O2/c1-18-6-9-21(10-7-18)30-24-11-8-20(14-19(24)15-28-30)26(32,17-27)23-16-29(12-13-31)25-5-3-2-4-22(23)25/h2-11,14-16,31-32H,12-13,17H2,1H3
InChIKeyIFKZIWPULXOJHE-UHFFFAOYSA-N
XLogP4.49
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-(4-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888391
1-[Hydroxy-(4-pyrazol-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 10316704
2-[5-(5-Methylindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252812
2-[5-[5-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252814
US10683290, Example 66
CID 134485969
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-m-tolylethanol
CID 46888416
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-o-tolylethanol
CID 46888464
2,2,2-trifluoro-1-(2-fluorophenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888465
2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)ethanol
CID 46888487
[3-(dimethyl-1H-1,2,3-triazol-5-yl)-9-fluoro-5-[(S)-oxan-4-yl(phenyl)methyl]-5H-pyrido[3,2-b]indol-6-yl]methanol
CID 118196553
2-[3-(Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-8-yl]propan-2-ol
CID 118196727
(S)-1-(6-(1-(4-(trifluoromethyl)benzyl)-1H-indazol-5-yl)pyridin-2-yl)ethane-1,2-diol
CID 118414024

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The IUPAC name of 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol (CID 150538851) is 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol.
What is the SMILES notation for 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The canonical SMILES for 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol is Cc1ccc(-n2ncc3cc(C(O)(CF)c4cn(CCO)c5ccccc45)ccc32)cc1.
What is the InChIKey of 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
The InChIKey is IFKZIWPULXOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-18-6-9-21(10-7-18)30-24-11-8-20(14-19(24)15-28-30)26(32,17-27)23-16-29(12-13-31)25-5-3-2-4-22(23)25/h2-11,14-16,31-32H,12-13,17H2,1H3.
What are the key properties of 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol?
2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol has a molecular weight of 429.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[1-(2-hydroxyethyl)indol-3-yl]-1-[1-(4-methylphenyl)indazol-5-yl]ethanol is sourced from PubChem (CID 150538851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).