(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate

C13H15IN4O3 — CID 121426303

IUPAC(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cn2nc(N3CCOCC3)cc(I)c2n1
InChIInChI=1S/C13H15IN4O3/c1-9(19)21-8-10-7-18-13(15-10)11(14)6-12(16-18)17-2-4-20-5-3-17/h6-7H,2-5,8H2,1H3
InChIKeyCGMSIORHPRLHOK-UHFFFAOYSA-N
MW402.19 g/mol
LogP1.23
Rot. Bonds3

About (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate

(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate (PubChem CID 121426303) has the molecular formula C13H15IN4O3 and a molecular weight of 402.19 g/mol. Its IUPAC name is (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate
PubChem CID121426303
Molecular FormulaC13H15IN4O3
Molecular Weight402.19 g/mol
Exact Mass402.02
IUPAC Name(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cn2nc(N3CCOCC3)cc(I)c2n1
InChIInChI=1S/C13H15IN4O3/c1-9(19)21-8-10-7-18-13(15-10)11(14)6-12(16-18)17-2-4-20-5-3-17/h6-7H,2-5,8H2,1H3
InChIKeyCGMSIORHPRLHOK-UHFFFAOYSA-N
XLogP1.23
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)morpholine
CID 138739515
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
4-(6-methylpyrazolo[1,5-a]pyridin-2-yl)morpholine
CID 123391583
N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
CID 175883938
2-amino-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)ethanone
CID 164974271
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 129231409
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate
CID 177037000
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
CID 4580656
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440

Frequently Asked Questions

What is the IUPAC name of (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate?
The IUPAC name of (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate (CID 121426303) is (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate.
What is the SMILES notation for (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate?
The canonical SMILES for (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate is CC(=O)OCc1cn2nc(N3CCOCC3)cc(I)c2n1.
What is the InChIKey of (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate?
The InChIKey is CGMSIORHPRLHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O3/c1-9(19)21-8-10-7-18-13(15-10)11(14)6-12(16-18)17-2-4-20-5-3-17/h6-7H,2-5,8H2,1H3.
What are the key properties of (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate?
(8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate has a molecular weight of 402.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-iodo-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methyl acetate is sourced from PubChem (CID 121426303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).