2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol

C22H15F3N4O — CID 24960918

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16/h1-13,27,30H
InChIKeyMZHOYJJFGDWALS-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.70
Rot. Bonds3

About 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol (PubChem CID 24960918) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
PubChem CID24960918
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16/h1-13,27,30H
InChIKeyMZHOYJJFGDWALS-UHFFFAOYSA-N
XLogP4.70
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol (CID 24960918) is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol is OC(c1ccc2c(cnn2-c2cccnc2)c1)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
The InChIKey is MZHOYJJFGDWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)21(30,18-13-27-19-6-2-1-5-17(18)19)15-7-8-20-14(10-15)11-28-29(20)16-4-3-9-26-12-16/h1-13,27,30H.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol?
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol has a molecular weight of 408.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-ylindazol-5-yl)ethanol is sourced from PubChem (CID 24960918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).