6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline

C24H26FN5O2 — CID 174159671

IUPAC6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline
SMILESCOCCOc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12
InChIInChI=1S/C24H26FN5O2/c1-15-14-30-24(27-15)22(32-10-9-31-2)13-21(29-30)19-12-18(25)11-17-3-4-20(28-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26H,5-10H2,1-2H3
InChIKeyHIDIEEKAHBPVDR-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.88
Rot. Bonds6

About 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline

6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline (PubChem CID 174159671) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline.

Molecular Properties

Compound Name6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline
PubChem CID174159671
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline
SMILESCOCCOc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12
InChIInChI=1S/C24H26FN5O2/c1-15-14-30-24(27-15)22(32-10-9-31-2)13-21(29-30)19-12-18(25)11-17-3-4-20(28-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26H,5-10H2,1-2H3
InChIKeyHIDIEEKAHBPVDR-UHFFFAOYSA-N
XLogP3.88
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline?
The IUPAC name of 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline (CID 174159671) is 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline.
What is the SMILES notation for 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline?
The canonical SMILES for 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline is COCCOc1cc(-c2cc(F)cc3ccc(C4CCNCC4)nc23)nn2cc(C)nc12.
What is the InChIKey of 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline?
The InChIKey is HIDIEEKAHBPVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-15-14-30-24(27-15)22(32-10-9-31-2)13-21(29-30)19-12-18(25)11-17-3-4-20(28-23(17)19)16-5-7-26-8-6-16/h3-4,11-14,16,26H,5-10H2,1-2H3.
What are the key properties of 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline?
6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline has a molecular weight of 435.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[8-(2-methoxyethoxy)-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-piperidin-4-ylquinoline is sourced from PubChem (CID 174159671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).