6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane

C48H58F2N12O2 — CID 177038511

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane (PubChem CID 177038511) has the molecular formula C48H58F2N12O2 and a molecular weight of 873.07 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane.

Molecular Properties

• Compound Name: 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane
• PubChem CID: 177038511
• Molecular Formula: C48H58F2N12O2
• Molecular Weight: 873.07 g/mol
• Exact Mass: 872.48
• IUPAC Name: 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane
• SMILES: CC.CCN1CCC(N(C)c2nc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3o2)CC1.Cc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)C6)C5)oc4c3)cc(C)c2n1
• InChI: InChI=1S/C23H25FN6O.C23H27FN6O.C2H6/c1-14-8-18(27-30-11-15(2)25-21(14)30)16-9-17(24)20-19(10-16)31-22(26-20)29-7-5-23(13-29)4-6-28(3)12-23;1-5-29-8-6-17(7-9-29)28(4)23-26-21-18(24)11-16(12-20(21)31-23)19-10-14(2)22-25-15(3)13-30(22)27-19;1-2/h8-11H,4-7,12-13H2,1-3H3;10-13,17H,5-9H2,1-4H3;1-2H3
• InChIKey: FTPASZMGXRXIQT-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 125.40 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.07
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane?

The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane (CID 177038511) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane.

What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane?

The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane is CC.CCN1CCC(N(C)c2nc3c(F)cc(-c4cc(C)c5nc(C)cn5n4)cc3o2)CC1.Cc1cn2nc(-c3cc(F)c4nc(N5CCC6(CCN(C)C6)C5)oc4c3)cc(C)c2n1.

What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane?

The InChIKey is FTPASZMGXRXIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O.C23H27FN6O.C2H6/c1-14-8-18(27-30-11-15(2)25-21(14)30)16-9-17(24)20-19(10-16)31-22(26-20)29-7-5-23(13-29)4-6-28(3)12-23;1-5-29-8-6-17(7-9-29)28(4)23-26-21-18(24)11-16(12-20(21)31-23)19-10-14(2)22-25-15(3)13-30(22)27-19;1-2/h8-11H,4-7,12-13H2,1-3H3;10-13,17H,5-9H2,1-4H3;1-2H3.

What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane?

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane has a molecular weight of 873.07 g/mol, XLogP of 9.07, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methyl-1,3-benzoxazol-2-amine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzoxazole;ethane is sourced from PubChem (CID 177038511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).