1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C186H224F3N34O8S3+ — CID 158989734

About 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 158989734) has the molecular formula C186H224F3N34O8S3+ and a molecular weight of 3217.26 g/mol. Its IUPAC name is 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• PubChem CID: 158989734
• Molecular Formula: C186H224F3N34O8S3+
• Molecular Weight: 3217.26 g/mol
• Exact Mass: 3214.73
• IUPAC Name: 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• SMILES: CC(C)CN1CCC(C(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3c2F)CC1.CC(C)C[N+]1(CC(C)C)CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)N4CCCCC4)c(F)c3c2)n1C.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCC(N5CCN(C)CC5)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCCCC4)c(F)c3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C[C@H]5C[C@@H]4CN5C)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C(C)(C)C)CC4)cc3c2)cn1
• InChI: InChI=1S/C28H39N4O.C25H31N5OS.C24H29FN4O.2C24H30N4O.C21H23FN4O.C20H21FN4OS.C20H21N5OS/c1-20(2)18-32(19-21(3)4)10-8-22(9-11-32)28(33)14-27-13-25-12-23(6-7-24(25)15-29-27)26-16-30-31(5)17-26;1-17-27-28-25(32-17)19-3-4-20-16-26-22(14-21(20)13-19)15-24(31)18-5-7-23(8-6-18)30-11-9-29(2)10-12-30;1-16(2)14-29-8-6-17(7-9-29)23(30)11-22-24(25)21-10-18(4-5-19(21)12-26-22)20-13-27-28(3)15-20;1-24(2,3)28-9-7-17(8-10-28)23(29)13-22-12-20-11-18(5-6-19(20)14-25-22)21-15-26-27(4)16-21;1-3-4-9-28-10-7-18(8-11-28)24(29)14-23-13-21-12-19(5-6-20(21)15-25-23)22-16-26-27(2)17-22;1-14-23-13-19(25(14)2)15-6-7-16-12-24-18(21(22)17(16)10-15)11-20(27)26-8-4-3-5-9-26;1-13-23-24-20(27-13)14-5-6-15-11-22-18(19(21)17(15)9-14)10-16(26)12-25-7-3-2-4-8-25;1-12-22-23-20(27-12)13-3-4-14-9-21-16(6-15(14)5-13)7-19(26)25-11-17-8-18(25)10-24(17)2/h6-7,12-13,15-17,20-22H,8-11,14,18-19H2,1-5H3;3-4,13-14,16,18,23H,5-12,15H2,1-2H3;4-5,10,12-13,15-17H,6-9,11,14H2,1-3H3;5-6,11-12,14-17H,7-10,13H2,1-4H3;5-6,12-13,15-18H,3-4,7-11,14H2,1-2H3;6-7,10,12-13H,3-5,8-9,11H2,1-2H3;5-6,9,11H,2-4,7-8,10,12H2,1H3;3-6,9,17-18H,7-8,10-11H2,1-2H3/q+1;;;;;;;/t;;;;;;;17-,18-/m.......1/s1
• InChIKey: JPZXBZLXMCEEJT-NODZYKOLSA-N
• XLogP: 31.99
• TPSA: 435.28 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 41
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3217.26
LogP ≤ 5	31.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The IUPAC name of 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 158989734) is 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

What is the SMILES notation for 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The canonical SMILES for 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is CC(C)CN1CCC(C(=O)Cc2ncc3ccc(-c4cnn(C)c4)cc3c2F)CC1.CC(C)C[N+]1(CC(C)C)CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CCCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)N4CCCCC4)c(F)c3c2)n1C.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCC(N5CCN(C)CC5)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)CN4CCCCC4)c(F)c3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4C[C@H]5C[C@@H]4CN5C)cc3c2)s1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C(C)(C)C)CC4)cc3c2)cn1.

What is the InChIKey of 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The InChIKey is JPZXBZLXMCEEJT-NODZYKOLSA-N. The full InChI is InChI=1S/C28H39N4O.C25H31N5OS.C24H29FN4O.2C24H30N4O.C21H23FN4O.C20H21FN4OS.C20H21N5OS/c1-20(2)18-32(19-21(3)4)10-8-22(9-11-32)28(33)14-27-13-25-12-23(6-7-24(25)15-29-27)26-16-30-31(5)17-26;1-17-27-28-25(32-17)19-3-4-20-16-26-22(14-21(20)13-19)15-24(31)18-5-7-23(8-6-18)30-11-9-29(2)10-12-30;1-16(2)14-29-8-6-17(7-9-29)23(30)11-22-24(25)21-10-18(4-5-19(21)12-26-22)20-13-27-28(3)15-20;1-24(2,3)28-9-7-17(8-10-28)23(29)13-22-12-20-11-18(5-6-19(20)14-25-22)21-15-26-27(4)16-21;1-3-4-9-28-10-7-18(8-11-28)24(29)14-23-13-21-12-19(5-6-20(21)15-25-23)22-16-26-27(2)17-22;1-14-23-13-19(25(14)2)15-6-7-16-12-24-18(21(22)17(16)10-15)11-20(27)26-8-4-3-5-9-26;1-13-23-24-20(27-13)14-5-6-15-11-22-18(19(21)17(15)9-14)10-16(26)12-25-7-3-2-4-8-25;1-12-22-23-20(27-12)13-3-4-14-9-21-16(6-15(14)5-13)7-19(26)25-11-17-8-18(25)10-24(17)2/h6-7,12-13,15-17,20-22H,8-11,14,18-19H2,1-5H3;3-4,13-14,16,18,23H,5-12,15H2,1-2H3;4-5,10,12-13,15-17H,6-9,11,14H2,1-3H3;5-6,11-12,14-17H,7-10,13H2,1-4H3;5-6,12-13,15-18H,3-4,7-11,14H2,1-2H3;6-7,10,12-13H,3-5,8-9,11H2,1-2H3;5-6,9,11H,2-4,7-8,10,12H2,1H3;3-6,9,17-18H,7-8,10-11H2,1-2H3/q+1;;;;;;;/t;;;;;;;17-,18-/m.......1/s1.

What are the key properties of 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3217.26 g/mol, XLogP of 31.99, 41 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1-bis(2-methylpropyl)piperidin-1-ium-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)-4-fluoroisoquinolin-3-yl]-1-piperidin-1-ylethanone;2-[4-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-3-piperidin-1-ylpropan-2-one;1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158989734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).