6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine

C24H27FN6O — CID 174159696

IUPAC6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCOCCNc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12
InChIInChI=1S/C24H27FN6O/c1-15-14-31-24(28-15)22(27-9-10-32-2)13-21(30-31)19-12-18(25)11-17-3-4-20(29-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26-27H,5-10H2,1-2H3
InChIKeyXQYKODVJVOGDCC-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.92
Rot. Bonds6

About 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine

6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 174159696) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
PubChem CID174159696
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
SMILESCOCCNc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12
InChIInChI=1S/C24H27FN6O/c1-15-14-31-24(28-15)22(27-9-10-32-2)13-21(30-31)19-12-18(25)11-17-3-4-20(29-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26-27H,5-10H2,1-2H3
InChIKeyXQYKODVJVOGDCC-UHFFFAOYSA-N
XLogP3.92
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine (CID 174159696) is 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is COCCNc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12.
What is the InChIKey of 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is XQYKODVJVOGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-15-14-31-24(28-15)22(27-9-10-32-2)13-21(30-31)19-12-18(25)11-17-3-4-20(29-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26-27H,5-10H2,1-2H3.
What are the key properties of 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine?
6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 434.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-piperidin-4-ylquinolin-8-yl)-N-(2-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 174159696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).