N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine

C38H44FN5O2Si — CID 140828950

IUPACN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
SMILESCc1c(F)cccc1Cc1c(CO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C38H44FN5O2Si/c1-27-30(18-13-19-31(27)39)24-34-33(26-46-47(5,6)38(2,3)4)41-37-32(25-35(42-44(34)37)43-20-22-45-23-21-43)40-36(28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-19,25H,20-24,26H2,1-6H3
InChIKeyWXNSSRKRNAMOMV-UHFFFAOYSA-N
MW649.89 g/mol
LogP8.30
Rot. Bonds9

About N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine

N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine (PubChem CID 140828950) has the molecular formula C38H44FN5O2Si and a molecular weight of 649.89 g/mol. Its IUPAC name is N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
PubChem CID140828950
Molecular FormulaC38H44FN5O2Si
Molecular Weight649.89 g/mol
Exact Mass649.32
IUPAC NameN-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
SMILESCc1c(F)cccc1Cc1c(CO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C38H44FN5O2Si/c1-27-30(18-13-19-31(27)39)24-34-33(26-46-47(5,6)38(2,3)4)41-37-32(25-35(42-44(34)37)43-20-22-45-23-21-43)40-36(28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-19,25H,20-24,26H2,1-6H3
InChIKeyWXNSSRKRNAMOMV-UHFFFAOYSA-N
XLogP8.30
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.89
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[8-(benzhydrylideneamino)-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxyethanamine
CID 140828930
methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylate
CID 140828909
[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
CID 138739590
N-[2-[(1,1-dioxothiocan-4-yl)methyl]-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine
CID 139514203
4-[[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-1,4-thiazinane 1-oxide
CID 139514232
3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296167
4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylimidazole-1-sulfonamide
CID 140828934
tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane
CID 140845802
ethyl 2-[8-(benzhydrylideneamino)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-yl-[1,2,4]triazolo[1,5-b]pyridazin-3-ium-2-yl]acetate
CID 140845792
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
N-tert-butyl-3-[[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl]-3-fluorophenyl]methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 140828944
[8-amino-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl 2-(4-ethylpiperazin-1-yl)acetate
CID 145102916

Frequently Asked Questions

What is the IUPAC name of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine (CID 140828950) is N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine is Cc1c(F)cccc1Cc1c(CO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12.
What is the InChIKey of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?
The InChIKey is WXNSSRKRNAMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44FN5O2Si/c1-27-30(18-13-19-31(27)39)24-34-33(26-46-47(5,6)38(2,3)4)41-37-32(25-35(42-44(34)37)43-20-22-45-23-21-43)40-36(28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-19,25H,20-24,26H2,1-6H3.
What are the key properties of N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine?
N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine has a molecular weight of 649.89 g/mol, XLogP of 8.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 140828950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).