(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine

C33H33F3N2 — CID 143692665

IUPAC(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine
SMILESCC/C=C1/C=CC(C(c2ccc(F)cc2)c2ccc(F)cc2)=NN1CCCc1cc(C2CCC2)ccc1F
InChIInChI=1S/C33H33F3N2/c1-2-5-30-18-20-32(33(24-9-14-28(34)15-10-24)25-11-16-29(35)17-12-25)37-38(30)21-4-8-27-22-26(13-19-31(27)36)23-6-3-7-23/h5,9-20,22-23,33H,2-4,6-8,21H2,1H3/b30-5-
InChIKeyOWFAHLFVFIJESQ-GWLNDQIASA-N
MW514.64 g/mol
LogP8.66
Rot. Bonds9

About (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine

(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine (PubChem CID 143692665) has the molecular formula C33H33F3N2 and a molecular weight of 514.64 g/mol. Its IUPAC name is (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine.

Molecular Properties

Compound Name(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine
PubChem CID143692665
Molecular FormulaC33H33F3N2
Molecular Weight514.64 g/mol
Exact Mass514.26
IUPAC Name(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine
SMILESCC/C=C1/C=CC(C(c2ccc(F)cc2)c2ccc(F)cc2)=NN1CCCc1cc(C2CCC2)ccc1F
InChIInChI=1S/C33H33F3N2/c1-2-5-30-18-20-32(33(24-9-14-28(34)15-10-24)25-11-16-29(35)17-12-25)37-38(30)21-4-8-27-22-26(13-19-31(27)36)23-6-3-7-23/h5,9-20,22-23,33H,2-4,6-8,21H2,1H3/b30-5-
InChIKeyOWFAHLFVFIJESQ-GWLNDQIASA-N
XLogP8.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.64
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine?
The IUPAC name of (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine (CID 143692665) is (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine.
What is the SMILES notation for (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine?
The canonical SMILES for (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine is CC/C=C1/C=CC(C(c2ccc(F)cc2)c2ccc(F)cc2)=NN1CCCc1cc(C2CCC2)ccc1F.
What is the InChIKey of (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine?
The InChIKey is OWFAHLFVFIJESQ-GWLNDQIASA-N. The full InChI is InChI=1S/C33H33F3N2/c1-2-5-30-18-20-32(33(24-9-14-28(34)15-10-24)25-11-16-29(35)17-12-25)37-38(30)21-4-8-27-22-26(13-19-31(27)36)23-6-3-7-23/h5,9-20,22-23,33H,2-4,6-8,21H2,1H3/b30-5-.
What are the key properties of (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine?
(6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine has a molecular weight of 514.64 g/mol, XLogP of 8.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-[bis(4-fluorophenyl)methyl]-1-[3-(5-cyclobutyl-2-fluorophenyl)propyl]-6-propylidenepyridazine is sourced from PubChem (CID 143692665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).