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

C22H16F2N4O — CID 151648489

IUPAC2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol
SMILESOC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2cnccc12
InChIInChI=1S/C22H16F2N4O/c23-13-22(29,19-11-26-20-12-25-8-7-18(19)20)15-1-6-21-14(9-15)10-27-28(21)17-4-2-16(24)3-5-17/h1-12,26,29H,13H2
InChIKeyQUAFQHNPJBYKLO-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.25
Rot. Bonds4

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

2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol (PubChem CID 151648489) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol
PubChem CID151648489
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol
SMILESOC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2cnccc12
InChIInChI=1S/C22H16F2N4O/c23-13-22(29,19-11-26-20-12-25-8-7-18(19)20)15-1-6-21-14(9-15)10-27-28(21)17-4-2-16(24)3-5-17/h1-12,26,29H,13H2
InChIKeyQUAFQHNPJBYKLO-UHFFFAOYSA-N
XLogP4.25
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol?
The IUPAC name of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol (CID 151648489) is 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol?
The canonical SMILES for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol is OC(CF)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)c1c[nH]c2cnccc12.
What is the InChIKey of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol?
The InChIKey is QUAFQHNPJBYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-13-22(29,19-11-26-20-12-25-8-7-18(19)20)15-1-6-21-14(9-15)10-27-28(21)17-4-2-16(24)3-5-17/h1-12,26,29H,13H2.
What are the key properties of 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol?
2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol has a molecular weight of 390.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol is sourced from PubChem (CID 151648489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).