2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol

C22H21FN4O — CID 175442847

IUPAC2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(C3=CCN(CCO)C=C3)c2)n1
InChIInChI=1S/C22H21FN4O/c1-15-3-2-4-21(25-15)22-19(14-24-26-22)17-5-6-20(23)18(13-17)16-7-9-27(10-8-16)11-12-28/h2-9,13-14,28H,10-12H2,1H3,(H,24,26)
InChIKeyOQRPOLNZRQZLOR-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol

2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol (PubChem CID 175442847) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol
PubChem CID175442847
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(C3=CCN(CCO)C=C3)c2)n1
InChIInChI=1S/C22H21FN4O/c1-15-3-2-4-21(25-15)22-19(14-24-26-22)17-5-6-20(23)18(13-17)16-7-9-27(10-8-16)11-12-28/h2-9,13-14,28H,10-12H2,1H3,(H,24,26)
InChIKeyOQRPOLNZRQZLOR-UHFFFAOYSA-N
XLogP3.79
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol (CID 175442847) is 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(C3=CCN(CCO)C=C3)c2)n1.
What is the InChIKey of 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol?
The InChIKey is OQRPOLNZRQZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-3-2-4-21(25-15)22-19(14-24-26-22)17-5-6-20(23)18(13-17)16-7-9-27(10-8-16)11-12-28/h2-9,13-14,28H,10-12H2,1H3,(H,24,26).
What are the key properties of 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol?
2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol has a molecular weight of 376.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 175442847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).