6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine

C24H24F3N3O2 — CID 58438373

IUPAC6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine
SMILESCN1CCC(Oc2cc(-c3ccc(OCc4ccccc4)cc3)c(C(F)(F)F)nn2)CC1
InChIInChI=1S/C24H24F3N3O2/c1-30-13-11-20(12-14-30)32-22-15-21(23(29-28-22)24(25,26)27)18-7-9-19(10-8-18)31-16-17-5-3-2-4-6-17/h2-10,15,20H,11-14,16H2,1H3
InChIKeyAOWKOZGKJZRZGL-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.21
Rot. Bonds6

About 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine

6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine (PubChem CID 58438373) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine
PubChem CID58438373
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine
SMILESCN1CCC(Oc2cc(-c3ccc(OCc4ccccc4)cc3)c(C(F)(F)F)nn2)CC1
InChIInChI=1S/C24H24F3N3O2/c1-30-13-11-20(12-14-30)32-22-15-21(23(29-28-22)24(25,26)27)18-7-9-19(10-8-18)31-16-17-5-3-2-4-6-17/h2-10,15,20H,11-14,16H2,1H3
InChIKeyAOWKOZGKJZRZGL-UHFFFAOYSA-N
XLogP5.21
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine?
The IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine (CID 58438373) is 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine is CN1CCC(Oc2cc(-c3ccc(OCc4ccccc4)cc3)c(C(F)(F)F)nn2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine?
The InChIKey is AOWKOZGKJZRZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-30-13-11-20(12-14-30)32-22-15-21(23(29-28-22)24(25,26)27)18-7-9-19(10-8-18)31-16-17-5-3-2-4-6-17/h2-10,15,20H,11-14,16H2,1H3.
What are the key properties of 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine?
6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine has a molecular weight of 443.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 58438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).