2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

C22H19FN4O2 — CID 22037197

IUPAC2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESCOc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1
InChIInChI=1S/C22H19FN4O2/c1-29-19-14-17(8-11-25-19)22-20(15-6-9-24-10-7-15)21(26-27(22)12-13-28)16-2-4-18(23)5-3-16/h2-11,14,28H,12-13H2,1H3
InChIKeyHVDXATSYGROCEO-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.81
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol

2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 22037197) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
PubChem CID22037197
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
SMILESCOc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1
InChIInChI=1S/C22H19FN4O2/c1-29-19-14-17(8-11-25-19)22-20(15-6-9-24-10-7-15)21(26-27(22)12-13-28)16-2-4-18(23)5-3-16/h2-11,14,28H,12-13H2,1H3
InChIKeyHVDXATSYGROCEO-UHFFFAOYSA-N
XLogP3.81
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 22037197) is 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is COc1cc(-c2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2CCO)ccn1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
The InChIKey is HVDXATSYGROCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-29-19-14-17(8-11-25-19)22-20(15-6-9-24-10-7-15)21(26-27(22)12-13-28)16-2-4-18(23)5-3-16/h2-11,14,28H,12-13H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol?
2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 390.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 22037197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).