(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine

C11H13BrN4O — CID 169237077

IUPAC(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
SMILESC[C@H]1CN(c2ccc3ncc(Br)n3n2)CCO1
InChIInChI=1S/C11H13BrN4O/c1-8-7-15(4-5-17-8)11-3-2-10-13-6-9(12)16(10)14-11/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyKLHLOSPPGHZHHC-QMMMGPOBSA-N
MW297.16 g/mol
LogP1.72
Rot. Bonds1

About (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine

(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine (PubChem CID 169237077) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
PubChem CID169237077
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
SMILESC[C@H]1CN(c2ccc3ncc(Br)n3n2)CCO1
InChIInChI=1S/C11H13BrN4O/c1-8-7-15(4-5-17-8)11-3-2-10-13-6-9(12)16(10)14-11/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyKLHLOSPPGHZHHC-QMMMGPOBSA-N
XLogP1.72
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 169237106
(2S)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylmorpholine
CID 67029066
N'-hydroxy-6-(2-methylmorpholin-4-yl)pyridine-3-carboximidamide
CID 24693054
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
4-[6-(chloromethyl)pyridazin-3-yl]-2-methylmorpholine
CID 61255944
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
tert-butyl 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepane-1-carboxylate
CID 68647817
[5-(2-methylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 115486800
8-bromo-2-(2-methylmorpholin-4-yl)quinoxaline-6-carboxylic acid
CID 129030010
(2R)-4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-propan-2-ylmorpholine
CID 97260429

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine?
The IUPAC name of (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine (CID 169237077) is (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine.
What is the SMILES notation for (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine?
The canonical SMILES for (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine is C[C@H]1CN(c2ccc3ncc(Br)n3n2)CCO1.
What is the InChIKey of (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine?
The InChIKey is KLHLOSPPGHZHHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-8-7-15(4-5-17-8)11-3-2-10-13-6-9(12)16(10)14-11/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine?
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine has a molecular weight of 297.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine is sourced from PubChem (CID 169237077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).