6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine

C24H29FN6O — CID 170593597

IUPAC6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
SMILESCOCCCN1CCC(c2cn3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1
InChIInChI=1S/C24H29FN6O/c1-16-11-21(28-31-13-17(2)26-23(16)31)19-12-20(25)24-27-22(15-30(24)14-19)18-5-8-29(9-6-18)7-4-10-32-3/h11-15,18H,4-10H2,1-3H3
InChIKeyUROAWTUWSUAFKX-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.02
Rot. Bonds6

About 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine

6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine (PubChem CID 170593597) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
PubChem CID170593597
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
SMILESCOCCCN1CCC(c2cn3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1
InChIInChI=1S/C24H29FN6O/c1-16-11-21(28-31-13-17(2)26-23(16)31)19-12-20(25)24-27-22(15-30(24)14-19)18-5-8-29(9-6-18)7-4-10-32-3/h11-15,18H,4-10H2,1-3H3
InChIKeyUROAWTUWSUAFKX-UHFFFAOYSA-N
XLogP4.02
TPSA59.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
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-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine (CID 170593597) is 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine is COCCCN1CCC(c2cn3cc(-c4cc(C)c5nc(C)cn5n4)cc(F)c3n2)CC1.
What is the InChIKey of 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is UROAWTUWSUAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-16-11-21(28-31-13-17(2)26-23(16)31)19-12-20(25)24-27-22(15-30(24)14-19)18-5-8-29(9-6-18)7-4-10-32-3/h11-15,18H,4-10H2,1-3H3.
What are the key properties of 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 436.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-fluoro-2-[1-(3-methoxypropyl)piperidin-4-yl]imidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 170593597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).