3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide

C20H21F3N4O — CID 66991611

IUPAC3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)c(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C20H21F3N4O/c1-12-8-9-15-24-18(25-16(28)11-19(2,3)4)17(27(15)26-12)13-6-5-7-14(10-13)20(21,22)23/h5-10H,11H2,1-4H3,(H,25,28)
InChIKeyFQVIQZSQZKCKLJ-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.10
Rot. Bonds3

About 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide

3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide (PubChem CID 66991611) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
PubChem CID66991611
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)c(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C20H21F3N4O/c1-12-8-9-15-24-18(25-16(28)11-19(2,3)4)17(27(15)26-12)13-6-5-7-14(10-13)20(21,22)23/h5-10H,11H2,1-4H3,(H,25,28)
InChIKeyFQVIQZSQZKCKLJ-UHFFFAOYSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide (CID 66991611) is 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide is Cc1ccc2nc(NC(=O)CC(C)(C)C)c(-c3cccc(C(F)(F)F)c3)n2n1.
What is the InChIKey of 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
The InChIKey is FQVIQZSQZKCKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-12-8-9-15-24-18(25-16(28)11-19(2,3)4)17(27(15)26-12)13-6-5-7-14(10-13)20(21,22)23/h5-10H,11H2,1-4H3,(H,25,28).
What are the key properties of 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide?
3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide has a molecular weight of 390.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[6-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]butanamide is sourced from PubChem (CID 66991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).