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

C41H39F6N13O — CID 118278222

IUPAC3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.Cc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C21H20F3N7O.C20H19F3N6/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15;1-12-10-14(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,(H,25,32);4-6,9-11H,7-8H2,1-3H3
InChIKeyKMYBLDZOICUBOE-UHFFFAOYSA-N
MW843.84 g/mol
LogP6.94
Rot. Bonds9

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

3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 118278222) has the molecular formula C41H39F6N13O and a molecular weight of 843.84 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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID118278222
Molecular FormulaC41H39F6N13O
Molecular Weight843.84 g/mol
Exact Mass843.33
IUPAC Name3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.Cc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C21H20F3N7O.C20H19F3N6/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15;1-12-10-14(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,(H,25,32);4-6,9-11H,7-8H2,1-3H3
InChIKeyKMYBLDZOICUBOE-UHFFFAOYSA-N
XLogP6.94
TPSA150.90 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.84
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide with MolForge

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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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 118278222) is 3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.
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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is CNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is KMYBLDZOICUBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O.C20H19F3N6/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15;1-12-10-14(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,(H,25,32);4-6,9-11H,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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 843.84 g/mol, XLogP of 6.94, 9 rotatable bonds, 1 hydrogen bond donors, and 13 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;N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 118278222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).