2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine

C21H17FN4O — CID 68642345

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine
SMILESCOc1cccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H17FN4O/c1-27-21-11-6-10-17(24-21)19-13-20(18-9-4-5-12-23-18)26(25-19)14-15-7-2-3-8-16(15)22/h2-13H,14H2,1H3
InChIKeyVBKXYXAXUFNLQC-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.20
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine

2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine (PubChem CID 68642345) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine
PubChem CID68642345
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine
SMILESCOc1cccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)n1
InChIInChI=1S/C21H17FN4O/c1-27-21-11-6-10-17(24-21)19-13-20(18-9-4-5-12-23-18)26(25-19)14-15-7-2-3-8-16(15)22/h2-13H,14H2,1H3
InChIKeyVBKXYXAXUFNLQC-UHFFFAOYSA-N
XLogP4.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine (CID 68642345) is 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine is COc1cccc(-c2cc(-c3ccccn3)n(Cc3ccccc3F)n2)n1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine?
The InChIKey is VBKXYXAXUFNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-27-21-11-6-10-17(24-21)19-13-20(18-9-4-5-12-23-18)26(25-19)14-15-7-2-3-8-16(15)22/h2-13H,14H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine?
2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine has a molecular weight of 360.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-ylpyrazol-3-yl]-6-methoxypyridine is sourced from PubChem (CID 68642345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).