2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide

C25H29F3N4O2 — CID 67983923

IUPAC2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCCC1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C25H29F3N4O2/c1-15-7-5-6-8-20(15)34-22-12-11-21-29-19(14-32(21)31-22)16-9-10-17(25(26,27)28)18(13-16)30-23(33)24(2,3)4/h9-15,20H,5-8H2,1-4H3,(H,30,33)
InChIKeyDITSZIBVXZOJSZ-UHFFFAOYSA-N
MW474.53 g/mol
LogP6.36
Rot. Bonds4

About 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide

2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 67983923) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
PubChem CID67983923
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCCC1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C25H29F3N4O2/c1-15-7-5-6-8-20(15)34-22-12-11-21-29-19(14-32(21)31-22)16-9-10-17(25(26,27)28)18(13-16)30-23(33)24(2,3)4/h9-15,20H,5-8H2,1-4H3,(H,30,33)
InChIKeyDITSZIBVXZOJSZ-UHFFFAOYSA-N
XLogP6.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide (CID 67983923) is 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide is CC1CCCCC1Oc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
What is the InChIKey of 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DITSZIBVXZOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-15-7-5-6-8-20(15)34-22-12-11-21-29-19(14-32(21)31-22)16-9-10-17(25(26,27)28)18(13-16)30-23(33)24(2,3)4/h9-15,20H,5-8H2,1-4H3,(H,30,33).
What are the key properties of 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 474.53 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[6-(2-methylcyclohexyl)oxyimidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 67983923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).