2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol

C21H25F3N6O2 — CID 121426194

IUPAC2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol
SMILESCc1c(Cc2c(C(O)CN)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C21H25F3N6O2/c1-12-13(3-2-4-14(12)21(22,23)24)9-16-19(17(31)11-25)27-20-15(26)10-18(28-30(16)20)29-5-7-32-8-6-29/h2-4,10,17,31H,5-9,11,25-26H2,1H3
InChIKeyFYPXFJCDZHMXGX-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol

2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol (PubChem CID 121426194) has the molecular formula C21H25F3N6O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol
PubChem CID121426194
Molecular FormulaC21H25F3N6O2
Molecular Weight450.47 g/mol
Exact Mass450.20
IUPAC Name2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol
SMILESCc1c(Cc2c(C(O)CN)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C21H25F3N6O2/c1-12-13(3-2-4-14(12)21(22,23)24)9-16-19(17(31)11-25)27-20-15(26)10-18(28-30(16)20)29-5-7-32-8-6-29/h2-4,10,17,31H,5-9,11,25-26H2,1H3
InChIKeyFYPXFJCDZHMXGX-UHFFFAOYSA-N
XLogP2.06
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-Methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidin-7-amine
CID 71270783
1-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 121426239
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426321
2-(Hydroxymethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426350
2-[[Methyl(2-methylsulfonylethyl)amino]methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 132271619
2-[(2-Methylsulfonylethylamino)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 132271620
[4-[8-Amino-2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]methanol
CID 132271625
2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
CID 121426178
2-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 121426223
[8-Amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
CID 121426270
2-[4-[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
CID 121426272

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol (CID 121426194) is 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol is Cc1c(Cc2c(C(O)CN)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol?
The InChIKey is FYPXFJCDZHMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O2/c1-12-13(3-2-4-14(12)21(22,23)24)9-16-19(17(31)11-25)27-20-15(26)10-18(28-30(16)20)29-5-7-32-8-6-29/h2-4,10,17,31H,5-9,11,25-26H2,1H3.
What are the key properties of 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol?
2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol has a molecular weight of 450.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]ethanol is sourced from PubChem (CID 121426194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).