7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol

C138H169N29O8 — CID 159199793

About 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol

7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol (PubChem CID 159199793) has the molecular formula C138H169N29O8 and a molecular weight of 2362.06 g/mol. Its IUPAC name is 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol.

Molecular Properties

• Compound Name: 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol
• PubChem CID: 159199793
• Molecular Formula: C138H169N29O8
• Molecular Weight: 2362.06 g/mol
• Exact Mass: 2360.37
• IUPAC Name: 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol
• SMILES: CC1(C)CC(Oc2ccc(-c3cc4cnccc4cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc3c(=O)[nH]ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3c(C4CC4)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1C[C@@H]2CN(c3ccc(-c4cc5cnccc5cc4O)nn3)C[C@@H]2C1
• InChI: InChI=1S/C26H33N5O.C24H31N5O.C23H29N5O2.C23H29N5O.C22H26N4O2.C20H21N5O/c1-25(2)14-18(15-26(3,4)30-25)31(5)23-9-8-21(28-29-23)20-13-19-17(12-22(20)32)10-11-27-24(19)16-6-7-16;1-23(2)13-18(14-24(3,4)29(23)6)28(5)22-8-7-20(26-27-22)19-11-17-15-25-10-9-16(17)12-21(19)30;1-22(2)12-15(13-23(3,4)27-22)28(5)20-7-6-18(25-26-20)17-11-16-14(10-19(17)29)8-9-24-21(16)30;1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29;1-21(2)11-16(12-22(3,4)26-21)28-20-6-5-18(24-25-20)17-9-15-13-23-8-7-14(15)10-19(17)27;1-24-9-15-11-25(12-16(15)10-24)20-3-2-18(22-23-20)17-6-14-8-21-5-4-13(14)7-19(17)26/h8-13,16,18,30,32H,6-7,14-15H2,1-5H3;7-12,15,18,30H,13-14H2,1-6H3;6-11,15,27,29H,12-13H2,1-5H3,(H,24,30);6-11,14,17,27,29H,12-13H2,1-5H3;5-10,13,16,26-27H,11-12H2,1-4H3;2-8,15-16,26H,9-12H2,1H3/t;;;;;15-,16+
• InChIKey: KPDIMNGZJYIGSO-SEYQEGNISA-N
• XLogP: 23.56
• TPSA: 453.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.06
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol?

The IUPAC name of 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol (CID 159199793) is 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol.

What is the SMILES notation for 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol?

The canonical SMILES for 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol is CC1(C)CC(Oc2ccc(-c3cc4cnccc4cc3O)nn2)CC(C)(C)N1.CN(c1ccc(-c2cc3c(=O)[nH]ccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3c(C4CC4)nccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN1C[C@@H]2CN(c3ccc(-c4cc5cnccc5cc4O)nn3)C[C@@H]2C1.

What is the InChIKey of 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol?

The InChIKey is KPDIMNGZJYIGSO-SEYQEGNISA-N. The full InChI is InChI=1S/C26H33N5O.C24H31N5O.C23H29N5O2.C23H29N5O.C22H26N4O2.C20H21N5O/c1-25(2)14-18(15-26(3,4)30-25)31(5)23-9-8-21(28-29-23)20-13-19-17(12-22(20)32)10-11-27-24(19)16-6-7-16;1-23(2)13-18(14-24(3,4)29(23)6)28(5)22-8-7-20(26-27-22)19-11-17-15-25-10-9-16(17)12-21(19)30;1-22(2)12-15(13-23(3,4)27-22)28(5)20-7-6-18(25-26-20)17-11-16-14(10-19(17)29)8-9-24-21(16)30;1-22(2)12-17(13-23(3,4)27-22)28(5)21-7-6-19(25-26-21)18-10-16-14-24-9-8-15(16)11-20(18)29;1-21(2)11-16(12-22(3,4)26-21)28-20-6-5-18(24-25-20)17-9-15-13-23-8-7-14(15)10-19(17)27;1-24-9-15-11-25(12-16(15)10-24)20-3-2-18(22-23-20)17-6-14-8-21-5-4-13(14)7-19(17)26/h8-13,16,18,30,32H,6-7,14-15H2,1-5H3;7-12,15,18,30H,13-14H2,1-6H3;6-11,15,27,29H,12-13H2,1-5H3,(H,24,30);6-11,14,17,27,29H,12-13H2,1-5H3;5-10,13,16,26-27H,11-12H2,1-4H3;2-8,15-16,26H,9-12H2,1H3/t;;;;;15-,16+.

What are the key properties of 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol?

7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol has a molecular weight of 2362.06 g/mol, XLogP of 23.56, 18 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]isoquinolin-6-ol;1-cyclopropyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-2H-isoquinolin-1-one;7-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-6-ol;7-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinolin-6-ol is sourced from PubChem (CID 159199793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).