3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C20H27N7O — CID 53357956

IUPAC3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C20H27N7O/c1-26-10-7-16(8-11-26)24-19-5-6-20-23-14-17(27(20)25-19)15-3-4-18(22-13-15)21-9-12-28-2/h3-6,13-14,16H,7-12H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyCNSDVZGTOGCFPQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.36
Rot. Bonds7

About 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 53357956) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID53357956
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C20H27N7O/c1-26-10-7-16(8-11-26)24-19-5-6-20-23-14-17(27(20)25-19)15-3-4-18(22-13-15)21-9-12-28-2/h3-6,13-14,16H,7-12H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyCNSDVZGTOGCFPQ-UHFFFAOYSA-N
XLogP2.36
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-4-yl)-3-[6-(3,3,3-trifluoropropylamino)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-amine
CID 53357958
N-(1-methylpiperidin-4-yl)-3-[4-(pyrazin-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 66549109
3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66548923
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
4-N-[3-[2-(3-methylbutoxy)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 53357957
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
methyl N-[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]carbamate
CID 131739759
[4-[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl] 3,3-dimethylbutanoate
CID 90843753
3-[3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]prop-2-enoic acid
CID 66889633
3-cyclopropyl-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133383342
4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 24822199

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 53357956) is 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is COCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1.
What is the InChIKey of 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CNSDVZGTOGCFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-26-10-7-16(8-11-26)24-19-5-6-20-23-14-17(27(20)25-19)15-3-4-18(22-13-15)21-9-12-28-2/h3-6,13-14,16H,7-12H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 381.48 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53357956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).