3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

C21H23FN4O2 — CID 134296171

IUPAC3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCCc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12
InChIInChI=1S/C21H23FN4O2/c1-3-16-15(5-4-6-17(16)22)12-19-18(13-27)23-21-14(2)11-20(24-26(19)21)25-7-9-28-10-8-25/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyVIYNDGGRQYHCOT-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.98
Rot. Bonds5

About 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde

3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 134296171) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID134296171
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCCc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12
InChIInChI=1S/C21H23FN4O2/c1-3-16-15(5-4-6-17(16)22)12-19-18(13-27)23-21-14(2)11-20(24-26(19)21)25-7-9-28-10-8-25/h4-6,11,13H,3,7-10,12H2,1-2H3
InChIKeyVIYNDGGRQYHCOT-UHFFFAOYSA-N
XLogP2.98
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296167
[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
CID 138739590
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
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
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
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
6-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]-2λ6-thia-6-azaspiro[3.3]heptane 2,2-dioxide
CID 134296141
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
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
1-[8-amino-3-[(2,3-dimethylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]-2-nitroethanol
CID 121426182
4-[8-(1H-imidazol-5-yl)-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 137167628
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (CID 134296171) is 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is CCc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12.
What is the InChIKey of 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is VIYNDGGRQYHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-3-16-15(5-4-6-17(16)22)12-19-18(13-27)23-21-14(2)11-20(24-26(19)21)25-7-9-28-10-8-25/h4-6,11,13H,3,7-10,12H2,1-2H3.
What are the key properties of 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 382.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 134296171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).