2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol

C22H14F4N4O — CID 24959091

IUPAC2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2cccnc12)C(F)(F)F
InChIInChI=1S/C22H14F4N4O/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-29-30)21(31,22(24,25)26)17-12-28-18-2-1-9-27-20(17)18/h1-12,28,31H
InChIKeyIQAFHHPSWVUHTI-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.84
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol

2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol (PubChem CID 24959091) has the molecular formula C22H14F4N4O and a molecular weight of 426.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol
PubChem CID24959091
Molecular FormulaC22H14F4N4O
Molecular Weight426.37 g/mol
Exact Mass426.11
IUPAC Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol
SMILESOC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2cccnc12)C(F)(F)F
InChIInChI=1S/C22H14F4N4O/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-29-30)21(31,22(24,25)26)17-12-28-18-2-1-9-27-20(17)18/h1-12,28,31H
InChIKeyIQAFHHPSWVUHTI-UHFFFAOYSA-N
XLogP4.84
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.84
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-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol (CID 24959091) is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol is OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1c[nH]c2cccnc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol?
The InChIKey is IQAFHHPSWVUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-29-30)21(31,22(24,25)26)17-12-28-18-2-1-9-27-20(17)18/h1-12,28,31H.
What are the key properties of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol?
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol has a molecular weight of 426.37 g/mol, XLogP of 4.84, 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-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol is sourced from PubChem (CID 24959091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).