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

C41H51FN6O2Si — CID 140828930

IUPACN-[[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
SMILESCCc1c(F)cccc1Cc1c(CNCCO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C41H51FN6O2Si/c1-7-33-32(19-14-20-34(33)42)27-37-36(29-43-21-24-50-51(5,6)41(2,3)4)45-40-35(28-38(46-48(37)40)47-22-25-49-26-23-47)44-39(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h8-20,28,43H,7,21-27,29H2,1-6H3
InChIKeyCHDZICUSXYJFSA-UHFFFAOYSA-N
MW706.98 g/mol
LogP8.14
Rot. Bonds13

About 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

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 (PubChem CID 140828930) has the molecular formula C41H51FN6O2Si and a molecular weight of 706.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID140828930
Molecular FormulaC41H51FN6O2Si
Molecular Weight706.98 g/mol
Exact Mass706.38
IUPAC NameN-[[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
SMILESCCc1c(F)cccc1Cc1c(CNCCO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12
InChIInChI=1S/C41H51FN6O2Si/c1-7-33-32(19-14-20-34(33)42)27-37-36(29-43-21-24-50-51(5,6)41(2,3)4)45-40-35(28-38(46-48(37)40)47-22-25-49-26-23-47)44-39(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h8-20,28,43H,7,21-27,29H2,1-6H3
InChIKeyCHDZICUSXYJFSA-UHFFFAOYSA-N
XLogP8.14
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.98
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
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
3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296171
[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
CID 138739590
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
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
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
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
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
3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296167
tert-butyl 4-[2-[[8-(tert-butylamino)-2-(hydroxymethyl)-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]methyl]-6-fluorophenyl]piperidine-1-carboxylate
CID 121426207

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(F)cccc1Cc1c(CNCCO[Si](C)(C)C(C)(C)C)nc2c(N=C(c3ccccc3)c3ccccc3)cc(N3CCOCC3)nn12.
What is the InChIKey of 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?
The InChIKey is CHDZICUSXYJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51FN6O2Si/c1-7-33-32(19-14-20-34(33)42)27-37-36(29-43-21-24-50-51(5,6)41(2,3)4)45-40-35(28-38(46-48(37)40)47-22-25-49-26-23-47)44-39(30-15-10-8-11-16-30)31-17-12-9-13-18-31/h8-20,28,43H,7,21-27,29H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 706.98 g/mol, XLogP of 8.14, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140828930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).