[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol

C21H25FN4O2 — CID 138739590

IUPAC[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCCc1cc(N2CCOCC2)nn2c(Cc3cccc(F)c3C)c(CO)nc12
InChIInChI=1S/C21H25FN4O2/c1-3-15-12-20(25-7-9-28-10-8-25)24-26-19(18(13-27)23-21(15)26)11-16-5-4-6-17(22)14(16)2/h4-6,12,27H,3,7-11,13H2,1-2H3
InChIKeyCRSUDQYWSJBLBK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.66
Rot. Bonds5

About [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol

[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 138739590) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID138739590
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCCc1cc(N2CCOCC2)nn2c(Cc3cccc(F)c3C)c(CO)nc12
InChIInChI=1S/C21H25FN4O2/c1-3-15-12-20(25-7-9-28-10-8-25)24-26-19(18(13-27)23-21(15)26)11-16-5-4-6-17(22)14(16)2/h4-6,12,27H,3,7-11,13H2,1-2H3
InChIKeyCRSUDQYWSJBLBK-UHFFFAOYSA-N
XLogP2.66
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
3-[(2-ethyl-3-fluorophenyl)methyl]-8-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 134296171
[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanamine
CID 134296165
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
2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
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-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
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
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
CID 134301992
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

Frequently Asked Questions

What is the IUPAC name of [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol (CID 138739590) is [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol is CCc1cc(N2CCOCC2)nn2c(Cc3cccc(F)c3C)c(CO)nc12.
What is the InChIKey of [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is CRSUDQYWSJBLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-3-15-12-20(25-7-9-28-10-8-25)24-26-19(18(13-27)23-21(15)26)11-16-5-4-6-17(22)14(16)2/h4-6,12,27H,3,7-11,13H2,1-2H3.
What are the key properties of [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
[8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 384.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethyl-3-[(3-fluoro-2-methylphenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 138739590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).