2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol

C75H83F2N21O5 — CID 164997452

About 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol

2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 164997452) has the molecular formula C75H83F2N21O5 and a molecular weight of 1396.63 g/mol. Its IUPAC name is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
• PubChem CID: 164997452
• Molecular Formula: C75H83F2N21O5
• Molecular Weight: 1396.63 g/mol
• Exact Mass: 1395.69
• IUPAC Name: 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
• SMILES: CC1(C)CC(Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)CC(C)(C)N1.CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn5ccnc5cn4)cc3O)nn2)[C@H](F)C(C)(C)N1.CN(c1ccc(-c2ncc(-c3cc(F)c4nn(C)cc4c3)cc2O)nn1)C1CC(C)(C)NC2(CC2)C1
• InChI: InChI=1S/C27H30FN7O.C24H26FN7O2.C24H27N7O2/c1-26(2)12-19(13-27(33-26)7-8-27)35(4)23-6-5-21(30-31-23)25-22(36)11-17(14-29-25)16-9-18-15-34(3)32-24(18)20(28)10-16;1-23(2)10-18(22(25)24(3,4)31-23)34-20-6-5-15(29-30-20)21-17(33)9-14(11-28-21)16-13-32-8-7-26-19(32)12-27-16;1-23(2)12-16(13-24(3,4)30-23)33-21-8-6-18(27-28-21)22-19(32)11-15(14-26-22)17-5-7-20-25-9-10-31(20)29-17/h5-6,9-11,14-15,19,33,36H,7-8,12-13H2,1-4H3;5-9,11-13,18,22,31,33H,10H2,1-4H3;5-11,14,16,30,32H,12-13H2,1-4H3/t;18-,22-;/m.0./s1
• InChIKey: HTFXXMHWNIUHPU-AQLLBTDGSA-N
• XLogP: 11.67
• TPSA: 312.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1396.63
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?

The IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol (CID 164997452) is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol.

What is the SMILES notation for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?

The canonical SMILES for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is CC1(C)CC(Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)CC(C)(C)N1.CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn5ccnc5cn4)cc3O)nn2)[C@H](F)C(C)(C)N1.CN(c1ccc(-c2ncc(-c3cc(F)c4nn(C)cc4c3)cc2O)nn1)C1CC(C)(C)NC2(CC2)C1.

What is the InChIKey of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?

The InChIKey is HTFXXMHWNIUHPU-AQLLBTDGSA-N. The full InChI is InChI=1S/C27H30FN7O.C24H26FN7O2.C24H27N7O2/c1-26(2)12-19(13-27(33-26)7-8-27)35(4)23-6-5-21(30-31-23)25-22(36)11-17(14-29-25)16-9-18-15-34(3)32-24(18)20(28)10-16;1-23(2)10-18(22(25)24(3,4)31-23)34-20-6-5-15(29-30-20)21-17(33)9-14(11-28-21)16-13-32-8-7-26-19(32)12-27-16;1-23(2)12-16(13-24(3,4)30-23)33-21-8-6-18(27-28-21)22-19(32)11-15(14-26-22)17-5-7-20-25-9-10-31(20)29-17/h5-6,9-11,14-15,19,33,36H,7-8,12-13H2,1-4H3;5-9,11-13,18,22,31,33H,10H2,1-4H3;5-11,14,16,30,32H,12-13H2,1-4H3/t;18-,22-;/m.0./s1.

What are the key properties of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol?

2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 1396.63 g/mol, XLogP of 11.67, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-a]pyrazin-6-ylpyridin-3-ol;5-imidazo[1,2-b]pyridazin-6-yl-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 164997452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).