1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C179H209F5N34O10S6 — CID 159043925

About 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 159043925) has the molecular formula C179H209F5N34O10S6 and a molecular weight of 3284.26 g/mol. Its IUPAC name is 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• PubChem CID: 159043925
• Molecular Formula: C179H209F5N34O10S6
• Molecular Weight: 3284.26 g/mol
• Exact Mass: 3281.51
• IUPAC Name: 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• SMILES: CCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCC(N(C)C5CCC5)CC4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCC(N(C)CC(C)F)CC4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N(C)CC(C)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](C)[C@@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](N(C)C)[C@@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](NC(C)C)[C@@H](F)C4)cc3c2)s1
• InChI: InChI=1S/C26H31N3O2.C25H30FN3O2.C23H28FN5OS.C22H26FN5OS.C21H24FN5OS.C21H25N5OS.C21H24N4OS.C20H21FN4OS/c1-17-27-16-26(31-17)19-6-7-20-15-28-22(13-21(20)12-19)14-25(30)18-8-10-24(11-9-18)29(2)23-4-3-5-23;1-16(26)15-29(3)23-8-6-18(7-9-23)24(30)12-22-11-21-10-19(4-5-20(21)13-28-22)25-14-27-17(2)31-25;1-15(24)14-28(3)21-6-8-29(9-7-21)22(30)12-20-11-19-10-17(4-5-18(19)13-25-20)23-27-26-16(2)31-23;1-13(2)25-20-6-7-28(12-19(20)23)21(29)10-18-9-17-8-15(4-5-16(17)11-24-18)22-27-26-14(3)30-22;1-13-24-25-21(29-13)14-4-5-15-11-23-17(9-16(15)8-14)10-20(28)27-7-6-19(26(2)3)18(22)12-27;1-14-23-24-21(28-14)15-4-5-16-13-22-18(11-17(16)10-15)12-20(27)26-8-6-19(7-9-26)25(2)3;1-3-15-6-8-25(9-7-15)20(26)12-19-11-18-10-16(4-5-17(18)13-22-19)21-24-23-14(2)27-21;1-12-5-6-25(11-18(12)21)19(26)9-17-8-16-7-14(3-4-15(16)10-22-17)20-24-23-13(2)27-20/h6-7,12-13,15-16,18,23-24H,3-5,8-11,14H2,1-2H3;4-5,10-11,13-14,16,18,23H,6-9,12,15H2,1-3H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;4-5,8-9,11,13,19-20,25H,6-7,10,12H2,1-3H3;4-5,8-9,11,18-19H,6-7,10,12H2,1-3H3;4-5,10-11,13,19H,6-9,12H2,1-3H3;4-5,10-11,13,15H,3,6-9,12H2,1-2H3;3-4,7-8,10,12,18H,5-6,9,11H2,1-2H3/t;;;19-,20-;18-,19-;;;12-,18-/m...00..0/s1
• InChIKey: JWKMJAHGZIVJRJ-STRZGVQLSA-N
• XLogP: 32.26
• TPSA: 494.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 39
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3284.26
LogP ≤ 5	32.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The IUPAC name of 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 159043925) is 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

What is the SMILES notation for 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The canonical SMILES for 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is CCC1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCC(N(C)C5CCC5)CC4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)C4CCC(N(C)CC(C)F)CC4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CCC(N(C)CC(C)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](C)[C@@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](N(C)C)[C@@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](NC(C)C)[C@@H](F)C4)cc3c2)s1.

What is the InChIKey of 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The InChIKey is JWKMJAHGZIVJRJ-STRZGVQLSA-N. The full InChI is InChI=1S/C26H31N3O2.C25H30FN3O2.C23H28FN5OS.C22H26FN5OS.C21H24FN5OS.C21H25N5OS.C21H24N4OS.C20H21FN4OS/c1-17-27-16-26(31-17)19-6-7-20-15-28-22(13-21(20)12-19)14-25(30)18-8-10-24(11-9-18)29(2)23-4-3-5-23;1-16(26)15-29(3)23-8-6-18(7-9-23)24(30)12-22-11-21-10-19(4-5-20(21)13-28-22)25-14-27-17(2)31-25;1-15(24)14-28(3)21-6-8-29(9-7-21)22(30)12-20-11-19-10-17(4-5-18(19)13-25-20)23-27-26-16(2)31-23;1-13(2)25-20-6-7-28(12-19(20)23)21(29)10-18-9-17-8-15(4-5-16(17)11-24-18)22-27-26-14(3)30-22;1-13-24-25-21(29-13)14-4-5-15-11-23-17(9-16(15)8-14)10-20(28)27-7-6-19(26(2)3)18(22)12-27;1-14-23-24-21(28-14)15-4-5-16-13-22-18(11-17(16)10-15)12-20(27)26-8-6-19(7-9-26)25(2)3;1-3-15-6-8-25(9-7-15)20(26)12-19-11-18-10-16(4-5-17(18)13-22-19)21-24-23-14(2)27-21;1-12-5-6-25(11-18(12)21)19(26)9-17-8-16-7-14(3-4-15(16)10-22-17)20-24-23-13(2)27-20/h6-7,12-13,15-16,18,23-24H,3-5,8-11,14H2,1-2H3;4-5,10-11,13-14,16,18,23H,6-9,12,15H2,1-3H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;4-5,8-9,11,13,19-20,25H,6-7,10,12H2,1-3H3;4-5,8-9,11,18-19H,6-7,10,12H2,1-3H3;4-5,10-11,13,19H,6-9,12H2,1-3H3;4-5,10-11,13,15H,3,6-9,12H2,1-2H3;3-4,7-8,10,12,18H,5-6,9,11H2,1-2H3/t;;;19-,20-;18-,19-;;;12-,18-/m...00..0/s1.

What are the key properties of 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 3284.26 g/mol, XLogP of 32.26, 39 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[cyclobutyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-4-(dimethylamino)-3-fluoropiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-(4-ethylpiperidin-1-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]ethanone;1-[4-[2-fluoropropyl(methyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 159043925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).