4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine

C18H18FN3O2 — CID 174271635

IUPAC4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(Oc3ccc(C(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C18H18FN3O2/c1-12(2)15-5-4-13(10-16(15)19)24-14-6-8-20-17(11-14)22-9-7-18(21-22)23-3/h4-12H,1-3H3
InChIKeyNCPGMXGSVXJXGC-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.33
Rot. Bonds5

About 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine

4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine (PubChem CID 174271635) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
PubChem CID174271635
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine
SMILESCOc1ccn(-c2cc(Oc3ccc(C(C)C)c(F)c3)ccn2)n1
InChIInChI=1S/C18H18FN3O2/c1-12(2)15-5-4-13(10-16(15)19)24-14-6-8-20-17(11-14)22-9-7-18(21-22)23-3/h4-12H,1-3H3
InChIKeyNCPGMXGSVXJXGC-UHFFFAOYSA-N
XLogP4.33
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The IUPAC name of 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine (CID 174271635) is 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The canonical SMILES for 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine is COc1ccn(-c2cc(Oc3ccc(C(C)C)c(F)c3)ccn2)n1.
What is the InChIKey of 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
The InChIKey is NCPGMXGSVXJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12(2)15-5-4-13(10-16(15)19)24-14-6-8-20-17(11-14)22-9-7-18(21-22)23-3/h4-12H,1-3H3.
What are the key properties of 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine?
4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine has a molecular weight of 327.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-ylphenoxy)-2-(3-methoxypyrazol-1-yl)pyridine is sourced from PubChem (CID 174271635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).