3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

C22H17F5N4O2 — CID 129304579

IUPAC3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ncc(C(F)(F)F)cc2F)ccc1-c1cnc(C2C=CC(F)=NC2)[nH]1
InChIInChI=1S/C22H17F5N4O2/c1-32-19-7-14(33-11-18-16(23)6-13(9-28-18)22(25,26)27)3-4-15(19)17-10-30-21(31-17)12-2-5-20(24)29-8-12/h2-7,9-10,12H,8,11H2,1H3,(H,30,31)
InChIKeyJQCKUCGUSAXIBR-UHFFFAOYSA-N
MW464.39 g/mol
LogP5.24
Rot. Bonds6

About 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 129304579) has the molecular formula C22H17F5N4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID129304579
Molecular FormulaC22H17F5N4O2
Molecular Weight464.39 g/mol
Exact Mass464.13
IUPAC Name3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ncc(C(F)(F)F)cc2F)ccc1-c1cnc(C2C=CC(F)=NC2)[nH]1
InChIInChI=1S/C22H17F5N4O2/c1-32-19-7-14(33-11-18-16(23)6-13(9-28-18)22(25,26)27)3-4-15(19)17-10-30-21(31-17)12-2-5-20(24)29-8-12/h2-7,9-10,12H,8,11H2,1H3,(H,30,31)
InChIKeyJQCKUCGUSAXIBR-UHFFFAOYSA-N
XLogP5.24
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 129304579) is 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(OCc2ncc(C(F)(F)F)cc2F)ccc1-c1cnc(C2C=CC(F)=NC2)[nH]1.
What is the InChIKey of 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is JQCKUCGUSAXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F5N4O2/c1-32-19-7-14(33-11-18-16(23)6-13(9-28-18)22(25,26)27)3-4-15(19)17-10-30-21(31-17)12-2-5-20(24)29-8-12/h2-7,9-10,12H,8,11H2,1H3,(H,30,31).
What are the key properties of 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 464.39 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 129304579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).