4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

C18H21F3N6O2 — CID 67462661

IUPAC4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(C)nc3c(N4CCOCC4)cc(C(F)(F)F)nn23)cn1
InChIInChI=1S/C18H21F3N6O2/c1-12-16(13-10-22-26(11-13)5-6-28-2)27-17(23-12)14(25-3-7-29-8-4-25)9-15(24-27)18(19,20)21/h9-11H,3-8H2,1-2H3
InChIKeyOIKBQQXGRTUESH-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.40
Rot. Bonds5

About 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 67462661) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID67462661
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC Name4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCOCCn1cc(-c2c(C)nc3c(N4CCOCC4)cc(C(F)(F)F)nn23)cn1
InChIInChI=1S/C18H21F3N6O2/c1-12-16(13-10-22-26(11-13)5-6-28-2)27-17(23-12)14(25-3-7-29-8-4-25)9-15(24-27)18(19,20)21/h9-11H,3-8H2,1-2H3
InChIKeyOIKBQQXGRTUESH-UHFFFAOYSA-N
XLogP2.40
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine 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 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 67462661) is 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is COCCn1cc(-c2c(C)nc3c(N4CCOCC4)cc(C(F)(F)F)nn23)cn1.
What is the InChIKey of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is OIKBQQXGRTUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c1-12-16(13-10-22-26(11-13)5-6-28-2)27-17(23-12)14(25-3-7-29-8-4-25)9-15(24-27)18(19,20)21/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 410.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methyl-6-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 67462661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).