6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole

C24H27FN6O — CID 170593476

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)C6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6O/c1-15-10-19(28-31-13-16(2)26-22(15)31)17-11-18(25)21-20(12-17)32-23(27-21)30-8-5-24(6-9-30)4-7-29(3)14-24/h10-13H,4-9,14H2,1-3H3
InChIKeyBQAKQUUBBQSTMT-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.22
Rot. Bonds2

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole (PubChem CID 170593476) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole
PubChem CID170593476
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole
SMILESCc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)C6)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C24H27FN6O/c1-15-10-19(28-31-13-16(2)26-22(15)31)17-11-18(25)21-20(12-17)32-23(27-21)30-8-5-24(6-9-30)4-7-29(3)14-24/h10-13H,4-9,14H2,1-3H3
InChIKeyBQAKQUUBBQSTMT-UHFFFAOYSA-N
XLogP4.22
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-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-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole (CID 170593476) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole is Cc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)C6)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole?
The InChIKey is BQAKQUUBBQSTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-15-10-19(28-31-13-16(2)26-22(15)31)17-11-18(25)21-20(12-17)32-23(27-21)30-8-5-24(6-9-30)4-7-29(3)14-24/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole has a molecular weight of 434.52 g/mol, XLogP of 4.22, 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-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-1,3-benzoxazole is sourced from PubChem (CID 170593476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).