ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one

C27H37N7O2 — CID 161209117

IUPACethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one
SMILESC=C(NCN1CCC2(CN(C)C2)C1)Nc1cn2nc(Oc3cccc(CC(C)=O)c3)ccc2n1.CC
InChIInChI=1S/C25H31N7O2.C2H6/c1-18(33)11-20-5-4-6-21(12-20)34-24-8-7-23-28-22(13-32(23)29-24)27-19(2)26-17-31-10-9-25(16-31)14-30(3)15-25;1-2/h4-8,12-13,26-27H,2,9-11,14-17H2,1,3H3;1-2H3
InChIKeyUVZOIZCHPSYSDF-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.75
Rot. Bonds9

About ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one

ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one (PubChem CID 161209117) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one
PubChem CID161209117
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Nameethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one
SMILESC=C(NCN1CCC2(CN(C)C2)C1)Nc1cn2nc(Oc3cccc(CC(C)=O)c3)ccc2n1.CC
InChIInChI=1S/C25H31N7O2.C2H6/c1-18(33)11-20-5-4-6-21(12-20)34-24-8-7-23-28-22(13-32(23)29-24)27-19(2)26-17-31-10-9-25(16-31)14-30(3)15-25;1-2/h4-8,12-13,26-27H,2,9-11,14-17H2,1,3H3;1-2H3
InChIKeyUVZOIZCHPSYSDF-UHFFFAOYSA-N
XLogP3.75
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one with MolForge

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Related Compounds

3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
CID 118712386
N-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3,3-dimethylbutanamide
CID 155549467
N-(3-imidazol-1-ylpropyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49789223
2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 118712385
2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-(3-methylphenyl)acetamide
CID 118712381
N-(3-fluorophenyl)-2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)acetamide
CID 118712382
2-(3-imidazo[1,2-b]pyridazin-6-yloxyphenyl)-N-phenylacetamide
CID 118712384
2-(3-methoxyphenyl)-N-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]acetamide
CID 117770096
2-(3-Methoxyphenyl)-N~1~-[1,2,4]triazolo[4,3-A]pyridin-8-ylacetamide
CID 53166259
2-(3-methoxyphenyl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetamide
CID 53166292
2-(4-Ethoxyphenyl)-N-{2-methyl-[1,2,4]triazolo[1,5-A]pyridin-8-YL}acetamide
CID 53190338

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one?
The IUPAC name of ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one (CID 161209117) is ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one.
What is the SMILES notation for ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one?
The canonical SMILES for ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one is C=C(NCN1CCC2(CN(C)C2)C1)Nc1cn2nc(Oc3cccc(CC(C)=O)c3)ccc2n1.CC.
What is the InChIKey of ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one?
The InChIKey is UVZOIZCHPSYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2.C2H6/c1-18(33)11-20-5-4-6-21(12-20)34-24-8-7-23-28-22(13-32(23)29-24)27-19(2)26-17-31-10-9-25(16-31)14-30(3)15-25;1-2/h4-8,12-13,26-27H,2,9-11,14-17H2,1,3H3;1-2H3.
What are the key properties of ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one?
ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one has a molecular weight of 491.64 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[2-[1-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methylamino]ethenylamino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 161209117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).