morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C24H19N5O2 — CID 118000489

IUPACmorpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(C#Cc4cccnc4)n3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H19N5O2/c30-24(28-12-14-31-15-13-28)20-6-4-19(5-7-20)22-9-10-23-26-17-21(29(23)27-22)8-3-18-2-1-11-25-16-18/h1-2,4-7,9-11,16-17H,12-15H2
InChIKeyAZQOQYQQPLRSOB-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.66
Rot. Bonds2

About morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 118000489) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
PubChem CID118000489
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Namemorpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(C#Cc4cccnc4)n3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H19N5O2/c30-24(28-12-14-31-15-13-28)20-6-4-19(5-7-20)22-9-10-23-26-17-21(29(23)27-22)8-3-18-2-1-11-25-16-18/h1-2,4-7,9-11,16-17H,12-15H2
InChIKeyAZQOQYQQPLRSOB-UHFFFAOYSA-N
XLogP2.66
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-[4-[3-[2-(1H-pyrazolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000324
[4-[3-[2-(5-fluoro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 122472502
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000365
morpholin-4-yl-[4-[3-[2-[6-(1,3-thiazol-2-ylamino)-3,4-dihydropyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000480
piperazin-1-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
CID 118000542
[4-[3-[2-(3-methylbenzimidazol-5-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 137408377
4-[[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methyl]morpholine
CID 123344564
4-methylmorpholine;4-[3-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzaldehyde
CID 144821621
4-[6-[4-(4-ethylpiperidine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 148782489
4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzaldehyde;4-methylmorpholine
CID 144821576
N-[7-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]pyridine-3-carboxamide
CID 44782857
4-[3-[2-[2-(methylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzaldehyde;2-methylbenzaldehyde;4-methylmorpholine
CID 144821664

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 118000489) is morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is O=C(c1ccc(-c2ccc3ncc(C#Cc4cccnc4)n3n2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The InChIKey is AZQOQYQQPLRSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c30-24(28-12-14-31-15-13-28)20-6-4-19(5-7-20)22-9-10-23-26-17-21(29(23)27-22)8-3-18-2-1-11-25-16-18/h1-2,4-7,9-11,16-17H,12-15H2.
What are the key properties of morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 409.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[3-(2-pyridin-3-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 118000489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).