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

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Related Compounds

4-[3-(1-ethylpyrazol-4-yl)-2-methylimidazo[1,2-c]pyrimidin-8-yl]morpholine
CID 71138631
4-[2-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71138937
4-[6-chloro-2-cyclopropyl-3-[1-(2-methoxy-2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 58496301
4-[2-(4-chlorophenyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 155514050
4-[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 67173008
4-[3-[6-(2-ethoxyethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 52932522
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
4-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-amine
CID 106747091
1-(3-methoxypropyl)-3-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100777427
4-[3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 58496276
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
[3-[3-[[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-morpholin-4-ylpyrimidin-4-yl]amino]anilino]-3-oxoprop-1-en-2-yl] 2,2,2-trifluoroacetate
CID 155757264

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).