4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine

C23H17F4N3O — CID 44622287

IUPAC4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(OCc3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C23H17F4N3O/c1-2-30-12-17(14-7-9-28-10-8-14)23(29-30)21-19(26)5-6-20(22(21)27)31-13-15-11-16(24)3-4-18(15)25/h3-12H,2,13H2,1H3
InChIKeyICYLXOYZNVSEDG-UHFFFAOYSA-N
MW427.40 g/mol
LogP5.77
Rot. Bonds6

About 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine

4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine (PubChem CID 44622287) has the molecular formula C23H17F4N3O and a molecular weight of 427.40 g/mol. Its IUPAC name is 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine
PubChem CID44622287
Molecular FormulaC23H17F4N3O
Molecular Weight427.40 g/mol
Exact Mass427.13
IUPAC Name4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine
SMILESCCn1cc(-c2ccncc2)c(-c2c(F)ccc(OCc3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C23H17F4N3O/c1-2-30-12-17(14-7-9-28-10-8-14)23(29-30)21-19(26)5-6-20(22(21)27)31-13-15-11-16(24)3-4-18(15)25/h3-12H,2,13H2,1H3
InChIKeyICYLXOYZNVSEDG-UHFFFAOYSA-N
XLogP5.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine (CID 44622287) is 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine is CCn1cc(-c2ccncc2)c(-c2c(F)ccc(OCc3cc(F)ccc3F)c2F)n1.
What is the InChIKey of 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine?
The InChIKey is ICYLXOYZNVSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O/c1-2-30-12-17(14-7-9-28-10-8-14)23(29-30)21-19(26)5-6-20(22(21)27)31-13-15-11-16(24)3-4-18(15)25/h3-12H,2,13H2,1H3.
What are the key properties of 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine?
4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine has a molecular weight of 427.40 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(2,5-difluorophenyl)methoxy]-2,6-difluorophenyl]-1-ethylpyrazol-4-yl]pyridine is sourced from PubChem (CID 44622287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).