5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol

C23H24N6O — CID 168895445

IUPAC5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nc(C)cn5n4)cc3O)nn2)C1
InChIInChI=1S/C23H24N6O/c1-4-28-12-17(13-28)19-7-8-20(26-25-19)18-6-5-16(10-22(18)30)21-9-14(2)23-24-15(3)11-29(23)27-21/h5-11,17,30H,4,12-13H2,1-3H3
InChIKeyHSBZRLMZRKTJFU-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.59
Rot. Bonds4

About 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol (PubChem CID 168895445) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
PubChem CID168895445
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol
SMILESCCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nc(C)cn5n4)cc3O)nn2)C1
InChIInChI=1S/C23H24N6O/c1-4-28-12-17(13-28)19-7-8-20(26-25-19)18-6-5-16(10-22(18)30)21-9-14(2)23-24-15(3)11-29(23)27-21/h5-11,17,30H,4,12-13H2,1-3H3
InChIKeyHSBZRLMZRKTJFU-UHFFFAOYSA-N
XLogP3.59
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol (CID 168895445) is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol is CCN1CC(c2ccc(-c3ccc(-c4cc(C)c5nc(C)cn5n4)cc3O)nn2)C1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
The InChIKey is HSBZRLMZRKTJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-4-28-12-17(13-28)19-7-8-20(26-25-19)18-6-5-16(10-22(18)30)21-9-14(2)23-24-15(3)11-29(23)27-21/h5-11,17,30H,4,12-13H2,1-3H3.
What are the key properties of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol?
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol has a molecular weight of 400.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(1-ethylazetidin-3-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 168895445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).