[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

C18H26N4O2 — CID 155502211

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCCCC[C@@H]1CN(C(=O)c2cnc3cccnn23)C[C@H](C(C)C)O1
InChIInChI=1S/C18H26N4O2/c1-4-5-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-17-8-6-9-20-22(15)17/h6,8-10,13-14,16H,4-5,7,11-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyXTDDSANRMGIXQU-GDBMZVCRSA-N
MW330.43 g/mol
LogP2.79
Rot. Bonds5

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (PubChem CID 155502211) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
PubChem CID155502211
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
SMILESCCCC[C@@H]1CN(C(=O)c2cnc3cccnn23)C[C@H](C(C)C)O1
InChIInChI=1S/C18H26N4O2/c1-4-5-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-17-8-6-9-20-22(15)17/h6,8-10,13-14,16H,4-5,7,11-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyXTDDSANRMGIXQU-GDBMZVCRSA-N
XLogP2.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 6-piperidinoimidazo[1,2-b]pyridazine-2-carboxylate
CID 2815688
US11142526, Example 143
CID 137533037
US11142526, Example 168
CID 149336681
N-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605242
N-[(1S,2S)-2-methoxycyclobutyl]-6-[[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605268
N-[(1S,2S)-2-methoxycyclobutyl]-8-(methylamino)-6-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605300
ethyl 4-({(1R*,2S*)-2-[(imidazo[1,2-b]pyridazin-3-ylcarbonyl)amino]cyclobutyl}amino)-1-piperidinecarboxylate
CID 56916207
8-Morpholinoimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 117728638
(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 71872080
2-[(3S)-4-(imidazo[1,2-b]pyridazine-3-carbonyl)morpholin-3-yl]-N-(2-methylpropyl)acetamide
CID 95895496
[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(2S)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 117990806
[6-(4-Fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,5,5-trimethylmorpholin-4-yl)methanone
CID 123520950

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (CID 155502211) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is CCCC[C@@H]1CN(C(=O)c2cnc3cccnn23)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
The InChIKey is XTDDSANRMGIXQU-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-5-7-14-11-21(12-16(24-14)13(2)3)18(23)15-10-19-17-8-6-9-20-22(15)17/h6,8-10,13-14,16H,4-5,7,11-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is sourced from PubChem (CID 155502211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).