4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine

C24H31IN8O4 — CID 167644829

IUPAC4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine
SMILESIc1cnc2cc(OCCN3CCOCC3)cnn12.c1cn2ncc(OCCN3CCOCC3)cc2n1
InChIInChI=1S/C12H15IN4O2.C12H16N4O2/c13-11-9-14-12-7-10(8-15-17(11)12)19-6-3-16-1-4-18-5-2-16;1-2-16-12(13-1)9-11(10-14-16)18-8-5-15-3-6-17-7-4-15/h7-9H,1-6H2;1-2,9-10H,3-8H2
InChIKeyPSCXHNWNEYNMOO-UHFFFAOYSA-N
MW622.47 g/mol
LogP1.49
Rot. Bonds8

About 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine

4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine (PubChem CID 167644829) has the molecular formula C24H31IN8O4 and a molecular weight of 622.47 g/mol. Its IUPAC name is 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine
PubChem CID167644829
Molecular FormulaC24H31IN8O4
Molecular Weight622.47 g/mol
Exact Mass622.15
IUPAC Name4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine
SMILESIc1cnc2cc(OCCN3CCOCC3)cnn12.c1cn2ncc(OCCN3CCOCC3)cc2n1
InChIInChI=1S/C12H15IN4O2.C12H16N4O2/c13-11-9-14-12-7-10(8-15-17(11)12)19-6-3-16-1-4-18-5-2-16;1-2-16-12(13-1)9-11(10-14-16)18-8-5-15-3-6-17-7-4-15/h7-9H,1-6H2;1-2,9-10H,3-8H2
InChIKeyPSCXHNWNEYNMOO-UHFFFAOYSA-N
XLogP1.49
TPSA103.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine
CID 155367109
7-fluoroimidazo[1,2-a]pyridine;4-(2-imidazo[1,2-a]pyridin-7-yloxyethyl)morpholine
CID 167565148
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370
4-[2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)oxyethyl]morpholine
CID 155727791
4-(2-imidazo[2,1-b][1,3]benzothiazol-6-yloxyethyl)morpholine
CID 141281186
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 52944688
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
1-(6-tert-butyl-1-oxa-2-azacyclohex-2-en-4-yn-3-yl)-3-[4-[2-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]urea
CID 139418024
[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
CID 142754833

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine?
The IUPAC name of 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine (CID 167644829) is 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine?
The canonical SMILES for 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine is Ic1cnc2cc(OCCN3CCOCC3)cnn12.c1cn2ncc(OCCN3CCOCC3)cc2n1.
What is the InChIKey of 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine?
The InChIKey is PSCXHNWNEYNMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O2.C12H16N4O2/c13-11-9-14-12-7-10(8-15-17(11)12)19-6-3-16-1-4-18-5-2-16;1-2-16-12(13-1)9-11(10-14-16)18-8-5-15-3-6-17-7-4-15/h7-9H,1-6H2;1-2,9-10H,3-8H2.
What are the key properties of 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine?
4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine has a molecular weight of 622.47 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazo[1,2-b]pyridazin-7-yloxyethyl)morpholine;4-[2-(3-iodoimidazo[1,2-b]pyridazin-7-yl)oxyethyl]morpholine is sourced from PubChem (CID 167644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).