6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole

C25H29FN6O — CID 170593861

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C25H29FN6O/c1-16-12-20(29-32-15-17(2)27-23(16)32)18-13-19(26)22-21(14-18)33-24(28-22)31-10-6-25(7-11-31)4-8-30(3)9-5-25/h12-15H,4-11H2,1-3H3
InChIKeyZLOWTTNVNBAVIH-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.61
Rot. Bonds2

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole (PubChem CID 170593861) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole
PubChem CID170593861
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C25H29FN6O/c1-16-12-20(29-32-15-17(2)27-23(16)32)18-13-19(26)22-21(14-18)33-24(28-22)31-10-6-25(7-11-31)4-8-30(3)9-5-25/h12-15H,4-11H2,1-3H3
InChIKeyZLOWTTNVNBAVIH-UHFFFAOYSA-N
XLogP4.61
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole (CID 170593861) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole is Cc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)CC6)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole?
The InChIKey is ZLOWTTNVNBAVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O/c1-16-12-20(29-32-15-17(2)27-23(16)32)18-13-19(26)22-21(14-18)33-24(28-22)31-10-6-25(7-11-31)4-8-30(3)9-5-25/h12-15H,4-11H2,1-3H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole has a molecular weight of 448.55 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 170593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).