ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate

C19H18F3N3O2 — CID 134461823

IUPACethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)c(-c3cccc(C)c3C(F)(F)F)nn12
InChIInChI=1S/C19H18F3N3O2/c1-5-27-18(26)14-9-23-17-12(4)11(3)16(24-25(14)17)13-8-6-7-10(2)15(13)19(20,21)22/h6-9H,5H2,1-4H3
InChIKeyQBIXDEBAAXWZQT-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.52
Rot. Bonds3

About ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 134461823) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID134461823
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Nameethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)c(-c3cccc(C)c3C(F)(F)F)nn12
InChIInChI=1S/C19H18F3N3O2/c1-5-27-18(26)14-9-23-17-12(4)11(3)16(24-25(14)17)13-8-6-7-10(2)15(13)19(20,21)22/h6-9H,5H2,1-4H3
InChIKeyQBIXDEBAAXWZQT-UHFFFAOYSA-N
XLogP4.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate (CID 134461823) is ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)c(-c3cccc(C)c3C(F)(F)F)nn12.
What is the InChIKey of ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is QBIXDEBAAXWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-5-27-18(26)14-9-23-17-12(4)11(3)16(24-25(14)17)13-8-6-7-10(2)15(13)19(20,21)22/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethyl-6-[3-methyl-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 134461823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).