tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen

C54H68F2N10O9 — CID 157274359

About tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen

tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen (PubChem CID 157274359) has the molecular formula C54H68F2N10O9 and a molecular weight of 1039.19 g/mol. Its IUPAC name is tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen
• PubChem CID: 157274359
• Molecular Formula: C54H68F2N10O9
• Molecular Weight: 1039.19 g/mol
• Exact Mass: 1038.51
• IUPAC Name: tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen
• SMILES: CC(C)(C)OC(=O)N1CCNC2(COC2)C1.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC34COC4)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.[H][H]
• InChI: InChI=1S/C27H32FN5O4.C16H14FN3O2.C11H20N2O3.H2/c1-17(2)20-12-21(18-6-8-19(28)9-7-18)30-33-13-22(29-23(20)33)24(34)32-11-10-31(14-27(32)15-36-16-27)25(35)37-26(3,4)5;1-9(2)12-7-13(10-3-5-11(17)6-4-10)19-20-8-14(16(21)22)18-15(12)20;1-10(2,3)16-9(14)13-5-4-12-11(6-13)7-15-8-11;/h6-9,12-13,17H,10-11,14-16H2,1-5H3;3-9H,1-2H3,(H,21,22);12H,4-8H2,1-3H3;1H
• InChIKey: AYXLOTCLVWPUDX-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 207.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.19
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?

The IUPAC name of tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen (CID 157274359) is tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen.

What is the SMILES notation for tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?

The canonical SMILES for tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen is CC(C)(C)OC(=O)N1CCNC2(COC2)C1.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC34COC4)nc12.CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)O)nc12.[H][H].

What is the InChIKey of tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?

The InChIKey is AYXLOTCLVWPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O4.C16H14FN3O2.C11H20N2O3.H2/c1-17(2)20-12-21(18-6-8-19(28)9-7-18)30-33-13-22(29-23(20)33)24(34)32-11-10-31(14-27(32)15-36-16-27)25(35)37-26(3,4)5;1-9(2)12-7-13(10-3-5-11(17)6-4-10)19-20-8-14(16(21)22)18-15(12)20;1-10(2,3)16-9(14)13-5-4-12-11(6-13)7-15-8-11;/h6-9,12-13,17H,10-11,14-16H2,1-5H3;3-9H,1-2H3,(H,21,22);12H,4-8H2,1-3H3;1H.

What are the key properties of tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen?

tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen has a molecular weight of 1039.19 g/mol, XLogP of 8.32, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;tert-butyl 2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;molecular hydrogen is sourced from PubChem (CID 157274359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).