2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol

C22H14F4N4O2 — CID 59437236

IUPAC2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESOn1cccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cnc1-2
InChIInChI=1S/C22H14F4N4O2/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-28-30)21(31,22(24,25)26)18-12-27-20-17(18)2-1-9-29(20)32/h1-12,31-32H
InChIKeyLBGNOJBTRHVRCS-UHFFFAOYSA-N
MW442.37 g/mol
LogP4.50
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol

2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol (PubChem CID 59437236) has the molecular formula C22H14F4N4O2 and a molecular weight of 442.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
PubChem CID59437236
Molecular FormulaC22H14F4N4O2
Molecular Weight442.37 g/mol
Exact Mass442.11
IUPAC Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
SMILESOn1cccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cnc1-2
InChIInChI=1S/C22H14F4N4O2/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-28-30)21(31,22(24,25)26)18-12-27-20-17(18)2-1-9-29(20)32/h1-12,31-32H
InChIKeyLBGNOJBTRHVRCS-UHFFFAOYSA-N
XLogP4.50
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10738057, Example 264
CID 138562149
US10738057, Example 51
CID 138576392
(2R,3R)-2-(2,4-difluorophenyl)-3-[3-methyl-5-(trifluoromethyl)indazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11998763
2-(2,4-Difluorophenyl)-1-[4-[3-(5-methylindol-1-yl)propyl]piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 172443051
US10071079, Example 100
CID 132271994
US10071079, Example 490
CID 132272355
US10071079, Example 212
CID 136214164
(2R)-2-(2,4-difluorophenyl)-1-indazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 76313478
2-{6-[cis-3-(5-Amino-7,9-difluoro[1,2,4]triazolo [1,5-c]quinazolin-2-yl)cyclobutyl]pyridin-3-yl} propan-2-ol
CID 169150829
US20250236608, Example 445
CID 169231022
US20250236608, Example 446
CID 169231840
2-(1-(3,4-Difluoro-5-hydroxyphenyl)-1H-indazol-5-yl)pyrimidin-5-ol
CID 170685678

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol (CID 59437236) is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol is On1cccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cnc1-2.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol?
The InChIKey is LBGNOJBTRHVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N4O2/c23-15-4-6-16(7-5-15)30-19-8-3-14(10-13(19)11-28-30)21(31,22(24,25)26)18-12-27-20-17(18)2-1-9-29(20)32/h1-12,31-32H.
What are the key properties of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol?
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol has a molecular weight of 442.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol is sourced from PubChem (CID 59437236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).