1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol

C22H19FN4O — CID 69350432

IUPAC1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)O)cn3)c2)n1
InChIInChI=1S/C22H19FN4O/c1-13-4-3-5-21(26-13)22-18(12-25-27-22)15-6-8-19(23)17(10-15)20-9-7-16(11-24-20)14(2)28/h3-12,14,28H,1-2H3,(H,25,27)
InChIKeySSSXFBNCLIUEQR-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.70
Rot. Bonds4

About 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol

1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol (PubChem CID 69350432) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol
PubChem CID69350432
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)O)cn3)c2)n1
InChIInChI=1S/C22H19FN4O/c1-13-4-3-5-21(26-13)22-18(12-25-27-22)15-6-8-19(23)17(10-15)20-9-7-16(11-24-20)14(2)28/h3-12,14,28H,1-2H3,(H,25,27)
InChIKeySSSXFBNCLIUEQR-UHFFFAOYSA-N
XLogP4.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol?
The IUPAC name of 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol (CID 69350432) is 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(C(C)O)cn3)c2)n1.
What is the InChIKey of 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol?
The InChIKey is SSSXFBNCLIUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-4-3-5-21(26-13)22-18(12-25-27-22)15-6-8-19(23)17(10-15)20-9-7-16(11-24-20)14(2)28/h3-12,14,28H,1-2H3,(H,25,27).
What are the key properties of 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol?
1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol has a molecular weight of 374.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]ethanol is sourced from PubChem (CID 69350432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).