3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine

C22H24FN3O — CID 126636238

IUPAC3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine
SMILESC=C1C(OCc2c(C)cccc2F)=CC=CN1C(=C(C)C)c1cnn(C)c1
InChIInChI=1S/C22H24FN3O/c1-15(2)22(18-12-24-25(5)13-18)26-11-7-10-21(17(26)4)27-14-19-16(3)8-6-9-20(19)23/h6-13H,4,14H2,1-3,5H3
InChIKeyDJYKBINIAZSGCZ-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.06
Rot. Bonds5

About 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine

3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine (PubChem CID 126636238) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine
PubChem CID126636238
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine
SMILESC=C1C(OCc2c(C)cccc2F)=CC=CN1C(=C(C)C)c1cnn(C)c1
InChIInChI=1S/C22H24FN3O/c1-15(2)22(18-12-24-25(5)13-18)26-11-7-10-21(17(26)4)27-14-19-16(3)8-6-9-20(19)23/h6-13H,4,14H2,1-3,5H3
InChIKeyDJYKBINIAZSGCZ-UHFFFAOYSA-N
XLogP5.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine?
The IUPAC name of 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine (CID 126636238) is 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine.
What is the SMILES notation for 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine?
The canonical SMILES for 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine is C=C1C(OCc2c(C)cccc2F)=CC=CN1C(=C(C)C)c1cnn(C)c1.
What is the InChIKey of 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine?
The InChIKey is DJYKBINIAZSGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15(2)22(18-12-24-25(5)13-18)26-11-7-10-21(17(26)4)27-14-19-16(3)8-6-9-20(19)23/h6-13H,4,14H2,1-3,5H3.
What are the key properties of 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine?
3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine has a molecular weight of 365.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-methylphenyl)methoxy]-2-methylidene-1-[2-methyl-1-(1-methylpyrazol-4-yl)prop-1-enyl]pyridine is sourced from PubChem (CID 126636238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).