cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

C25H29F3N4O2 — CID 143671913

IUPACcyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCC1CCN(C(=O)C2CC2)CC1.Cc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C14H10F3N3O.C11H19NO/c1-9-5-6-13-18-8-12(20(13)19-9)10-3-2-4-11(7-10)21-14(15,16)17;1-2-9-5-7-12(8-6-9)11(13)10-3-4-10/h2-8H,1H3;9-10H,2-8H2,1H3
InChIKeyAJWRKDVXXNJGCN-UHFFFAOYSA-N
MW474.53 g/mol
LogP5.65
Rot. Bonds4

About cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine

cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 143671913) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Namecyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID143671913
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Namecyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCC1CCN(C(=O)C2CC2)CC1.Cc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
InChIInChI=1S/C14H10F3N3O.C11H19NO/c1-9-5-6-13-18-8-12(20(13)19-9)10-3-2-4-11(7-10)21-14(15,16)17;1-2-9-5-7-12(8-6-9)11(13)10-3-4-10/h2-8H,1H3;9-10H,2-8H2,1H3
InChIKeyAJWRKDVXXNJGCN-UHFFFAOYSA-N
XLogP5.65
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.53
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 25025645
6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 66598032
4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thiomorpholine
CID 123401440
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
6-[3-(methoxymethyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 162753468
1,1-dioxo-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]thian-4-imine
CID 162618429
N-ethyl-4-[[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]piperidine-1-carboxamide
CID 66748175
1-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 31937683
N-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285852
3-[3-(trifluoromethoxy)phenyl]-5H-imidazo[1,2-b]pyridazin-6-one
CID 90142509
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285476

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 143671913) is cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is CCC1CCN(C(=O)C2CC2)CC1.Cc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.
What is the InChIKey of cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is AJWRKDVXXNJGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O.C11H19NO/c1-9-5-6-13-18-8-12(20(13)19-9)10-3-2-4-11(7-10)21-14(15,16)17;1-2-9-5-7-12(8-6-9)11(13)10-3-4-10/h2-8H,1H3;9-10H,2-8H2,1H3.
What are the key properties of cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine?
cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 474.53 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-ethylpiperidin-1-yl)methanone;6-methyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 143671913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).