2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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

C38H38F3N13 — CID 118278245

IUPAC2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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
SMILESCc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.Cc1nc2ccc(CCc3nc(-c4cnccn4)cn3C)nn2c1C
InChIInChI=1S/C20H19F3N6.C18H19N7/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;1-12-13(2)25-18(21-12)7-5-14(23-25)4-6-17-22-16(11-24(17)3)15-10-19-8-9-20-15/h4-6,9-11H,7-8H2,1-3H3;5,7-11H,4,6H2,1-3H3
InChIKeyJQBSPHCIDOGTBC-UHFFFAOYSA-N
MW733.81 g/mol
LogP6.27
Rot. Bonds8

About 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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

2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 118278245) has the molecular formula C38H38F3N13 and a molecular weight of 733.81 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 CID118278245
Molecular FormulaC38H38F3N13
Molecular Weight733.81 g/mol
Exact Mass733.33
IUPAC Name2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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
SMILESCc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.Cc1nc2ccc(CCc3nc(-c4cnccn4)cn3C)nn2c1C
InChIInChI=1S/C20H19F3N6.C18H19N7/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;1-12-13(2)25-18(21-12)7-5-14(23-25)4-6-17-22-16(11-24(17)3)15-10-19-8-9-20-15/h4-6,9-11H,7-8H2,1-3H3;5,7-11H,4,6H2,1-3H3
InChIKeyJQBSPHCIDOGTBC-UHFFFAOYSA-N
XLogP6.27
TPSA134.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500733.81
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 (CID 118278245) is 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 is Cc1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.Cc1nc2ccc(CCc3nc(-c4cnccn4)cn3C)nn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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?
The InChIKey is JQBSPHCIDOGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6.C18H19N7/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;1-12-13(2)25-18(21-12)7-5-14(23-25)4-6-17-22-16(11-24(17)3)15-10-19-8-9-20-15/h4-6,9-11H,7-8H2,1-3H3;5,7-11H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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?
2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 733.81 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]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 is sourced from PubChem (CID 118278245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).