[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate

C23H29N5O2 — CID 90843753

IUPAC[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)14-22(29)30-18-6-4-17(5-7-18)26-20-8-9-21-25-15-19(28(21)27-20)16-10-12-24-13-11-16/h8-13,15,17-18H,4-7,14H2,1-3H3,(H,26,27)
InChIKeyAVOMGIXISDOIBO-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.49
Rot. Bonds5

About [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate

[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate (PubChem CID 90843753) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate
PubChem CID90843753
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H29N5O2/c1-23(2,3)14-22(29)30-18-6-4-17(5-7-18)26-20-8-9-21-25-15-19(28(21)27-20)16-10-12-24-13-11-16/h8-13,15,17-18H,4-7,14H2,1-3H3,(H,26,27)
InChIKeyAVOMGIXISDOIBO-UHFFFAOYSA-N
XLogP4.49
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate with MolForge

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Related Compounds

2-(6-((3-(4-(Diphenylmethoxy)piperidino)propyl)amino)imidazo(1,2-b)pyridazin-2-yl)-2-methylpropionic acid
CID 9806921
3-[6-(2-methoxyethylamino)-3-pyridyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
CID 53357956
methyl N-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate
CID 53358644
cyclohexyl N-[5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203888
N-[4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]oxane-4-carboxamide
CID 122179544
(2S)-3-methyl-2-[(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 137640811
(2S)-2-[(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)amino]butan-1-ol
CID 137659350
cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203939
cyclohexyl N-[5-(2-acetamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methyl-3-pyridinyl]carbamate
CID 134203944
3-(4-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 25104535
3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857586
3-(4-pyridinyl)-N-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 16048292

Frequently Asked Questions

What is the IUPAC name of [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate?
The IUPAC name of [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate (CID 90843753) is [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate?
The canonical SMILES for [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate is CC(C)(C)CC(=O)OC1CCC(Nc2ccc3ncc(-c4ccncc4)n3n2)CC1.
What is the InChIKey of [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate?
The InChIKey is AVOMGIXISDOIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,3)14-22(29)30-18-6-4-17(5-7-18)26-20-8-9-21-25-15-19(28(21)27-20)16-10-12-24-13-11-16/h8-13,15,17-18H,4-7,14H2,1-3H3,(H,26,27).
What are the key properties of [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate?
[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate has a molecular weight of 407.52 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate is sourced from PubChem (CID 90843753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).