3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C20H19F3N6 — CID 118278101

IUPAC3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H19F3N6/c1-12-10-14(27-29-13(2)18(20(21,22)23)26-19(12)29)7-8-17-25-16(11-28(17)3)15-6-4-5-9-24-15/h4-6,9-11H,7-8H2,1-3H3
InChIKeyQZZCGZAOOIPYSB-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.95
Rot. Bonds4

About 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278101) has the molecular formula C20H19F3N6 and a molecular weight of 400.41 g/mol. Its IUPAC name is 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278101
Molecular FormulaC20H19F3N6
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C20H19F3N6/c1-12-10-14(27-29-13(2)18(20(21,22)23)26-19(12)29)7-8-17-25-16(11-28(17)3)15-6-4-5-9-24-15/h4-6,9-11H,7-8H2,1-3H3
InChIKeyQZZCGZAOOIPYSB-UHFFFAOYSA-N
XLogP3.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278101) is 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is QZZCGZAOOIPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6/c1-12-10-14(27-29-13(2)18(20(21,22)23)26-19(12)29)7-8-17-25-16(11-28(17)3)15-6-4-5-9-24-15/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 400.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).