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

C20H24FN5O2 — CID 121426202

IUPAC[8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C20H24FN5O2/c1-2-14-13(4-3-5-15(14)21)10-18-17(12-27)23-20-16(22)11-19(24-26(18)20)25-6-8-28-9-7-25/h3-5,11,27H,2,6-10,12,22H2,1H3
InChIKeyLWKCTAIPJKLGMO-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.93
Rot. Bonds5

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

[8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 121426202) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID121426202
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name[8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(N3CCOCC3)nn12
InChIInChI=1S/C20H24FN5O2/c1-2-14-13(4-3-5-15(14)21)10-18-17(12-27)23-20-16(22)11-19(24-26(18)20)25-6-8-28-9-7-25/h3-5,11,27H,2,6-10,12,22H2,1H3
InChIKeyLWKCTAIPJKLGMO-UHFFFAOYSA-N
XLogP1.93
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-Fluoro-2-piperidin-4-ylphenyl)methyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426224
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
1-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 121426239
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426321
2-(Hydroxymethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426350
[4-[8-Amino-2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]methanol
CID 132271625
2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
CID 121426178
2-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 121426223
[8-Amino-6-morpholin-4-yl-3-[[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
CID 121426270
2-[4-[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
CID 121426272
2-(aminomethyl)-3-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 132271633

Frequently Asked Questions

What is the IUPAC name of [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol (CID 121426202) is [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol is CCc1c(F)cccc1Cc1c(CO)nc2c(N)cc(N3CCOCC3)nn12.
What is the InChIKey of [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is LWKCTAIPJKLGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-2-14-13(4-3-5-15(14)21)10-18-17(12-27)23-20-16(22)11-19(24-26(18)20)25-6-8-28-9-7-25/h3-5,11,27H,2,6-10,12,22H2,1H3.
What are the key properties of [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol?
[8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 385.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-3-[(2-ethyl-3-fluorophenyl)methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 121426202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).