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

C20H21FN4O2 — CID 134296167

IUPAC3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12
InChIInChI=1S/C20H21FN4O2/c1-13-10-19(24-6-8-27-9-7-24)23-25-18(17(12-26)22-20(13)25)11-15-4-3-5-16(21)14(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyWMZGUOZMQQPVJK-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.73
Rot. Bonds4

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

3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (PubChem CID 134296167) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
PubChem CID134296167
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
SMILESCc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12
InChIInChI=1S/C20H21FN4O2/c1-13-10-19(24-6-8-27-9-7-24)23-25-18(17(12-26)22-20(13)25)11-15-4-3-5-16(21)14(15)2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyWMZGUOZMQQPVJK-UHFFFAOYSA-N
XLogP2.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.73
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-[(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
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
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
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121427612
4-[2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-8-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 121426299

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The IUPAC name of 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde (CID 134296167) is 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde.
What is the SMILES notation for 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The canonical SMILES for 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is Cc1c(F)cccc1Cc1c(C=O)nc2c(C)cc(N3CCOCC3)nn12.
What is the InChIKey of 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
The InChIKey is WMZGUOZMQQPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-10-19(24-6-8-27-9-7-24)23-25-18(17(12-26)22-20(13)25)11-15-4-3-5-16(21)14(15)2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde?
3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde has a molecular weight of 368.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-methylphenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde is sourced from PubChem (CID 134296167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).