4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

C27H19F2N3O — CID 67106089

IUPAC4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ccc(F)c(Oc4ccccc4)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C27H19F2N3O/c28-22-9-7-21(8-10-22)27-24(20-12-14-30-15-13-20)18-32(31-27)17-19-6-11-25(29)26(16-19)33-23-4-2-1-3-5-23/h1-16,18H,17H2
InChIKeyWFECBCMEDSBWMO-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.73
Rot. Bonds6

About 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (PubChem CID 67106089) has the molecular formula C27H19F2N3O and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
PubChem CID67106089
Molecular FormulaC27H19F2N3O
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ccc(F)c(Oc4ccccc4)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C27H19F2N3O/c28-22-9-7-21(8-10-22)27-24(20-12-14-30-15-13-20)18-32(31-27)17-19-6-11-25(29)26(16-19)33-23-4-2-1-3-5-23/h1-16,18H,17H2
InChIKeyWFECBCMEDSBWMO-UHFFFAOYSA-N
XLogP6.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (CID 67106089) is 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(Cc3ccc(F)c(Oc4ccccc4)c3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The InChIKey is WFECBCMEDSBWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O/c28-22-9-7-21(8-10-22)27-24(20-12-14-30-15-13-20)18-32(31-27)17-19-6-11-25(29)26(16-19)33-23-4-2-1-3-5-23/h1-16,18H,17H2.
What are the key properties of 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine has a molecular weight of 439.47 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluoro-3-phenoxyphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).