N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide

C17H23F3N4O — CID 66992019

IUPACN-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(CC(C)(C)C)n2n1
InChIInChI=1S/C17H23F3N4O/c1-10(17(18,19)20)8-14(25)22-15-12(9-16(3,4)5)24-13(21-15)7-6-11(2)23-24/h6-7,10H,8-9H2,1-5H3,(H,22,25)
InChIKeyHQLOSSMUROSWCB-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.15
Rot. Bonds4

About N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide

N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 66992019) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide
PubChem CID66992019
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC NameN-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide
SMILESCc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(CC(C)(C)C)n2n1
InChIInChI=1S/C17H23F3N4O/c1-10(17(18,19)20)8-14(25)22-15-12(9-16(3,4)5)24-13(21-15)7-6-11(2)23-24/h6-7,10H,8-9H2,1-5H3,(H,22,25)
InChIKeyHQLOSSMUROSWCB-UHFFFAOYSA-N
XLogP4.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide (CID 66992019) is N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide is Cc1ccc2nc(NC(=O)CC(C)C(F)(F)F)c(CC(C)(C)C)n2n1.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is HQLOSSMUROSWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c1-10(17(18,19)20)8-14(25)22-15-12(9-16(3,4)5)24-13(21-15)7-6-11(2)23-24/h6-7,10H,8-9H2,1-5H3,(H,22,25).
What are the key properties of N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide?
N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 356.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-6-methylimidazo[1,2-b]pyridazin-2-yl]-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 66992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).