3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine

C23H24F3N5O — CID 59191618

IUPAC3-(4-methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCC1=C(C(=NN=C1C2=CC=C(C=C2)OC)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C
InChIInChI=1S/C23H24F3N5O/c1-15-16(2)22(29-28-21(15)17-4-7-19(32-3)8-5-17)31-12-10-30(11-13-31)20-9-6-18(14-27-20)23(24,25)26/h4-9,14H,10-13H2,1-3H3
InChIKeyQGTBJZXGCBNJKL-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.40
Rot. Bonds4

About 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine

3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine (PubChem CID 59191618) has the molecular formula C23H24F3N5O and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine
PubChem CID59191618
Molecular FormulaC23H24F3N5O
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name3-(4-methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCC1=C(C(=NN=C1C2=CC=C(C=C2)OC)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C
InChIInChI=1S/C23H24F3N5O/c1-15-16(2)22(29-28-21(15)17-4-7-19(32-3)8-5-17)31-12-10-30(11-13-31)20-9-6-18(14-27-20)23(24,25)26/h4-9,14H,10-13H2,1-3H3
InChIKeyQGTBJZXGCBNJKL-UHFFFAOYSA-N
XLogP4.40
TPSA54.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity593

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine (CID 59191618) is 3-(4-methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine is CC1=C(C(=NN=C1C2=CC=C(C=C2)OC)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)C.
What is the InChIKey of 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine?
The InChIKey is QGTBJZXGCBNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-16(2)22(29-28-21(15)17-4-7-19(32-3)8-5-17)31-12-10-30(11-13-31)20-9-6-18(14-27-20)23(24,25)26/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine?
3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine has a molecular weight of 443.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 59191618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).