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

C155H181F6N31O8S6 — CID 157362403

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

1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone (PubChem CID 157362403) has the molecular formula C155H181F6N31O8S6 and a molecular weight of 2925.83 g/mol. Its IUPAC name is 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone
• PubChem CID: 157362403
• Molecular Formula: C155H181F6N31O8S6
• Molecular Weight: 2925.83 g/mol
• Exact Mass: 2923.38
• IUPAC Name: 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone
• SMILES: Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@@H](C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@@H](NC(C)C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](NC(C)C)[C@H](F)C4)cc3c2)s1.[2H]C([2H])([2H])C(NC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1)C([2H])([2H])C.[2H]C([2H])([2H])C(N[C@H]1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)C[C@@H]1F)C([2H])([2H])C.[2H]C([2H])([2H])N(CC(C)F)C1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1
• InChI: InChI=1S/C25H31N3O2.2C23H28FN5OS.2C22H26FN5OS.2C20H21FN4OS/c1-4-16(2)28-22-9-7-18(8-10-22)24(29)13-23-12-21-11-19(5-6-20(21)14-27-23)25-15-26-17(3)30-25;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;1-4-14(2)26-21-7-8-29(13-20(21)24)22(30)11-19-10-18-9-16(5-6-17(18)12-25-19)23-28-27-15(3)31-23;2*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;2*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/h5-6,11-12,14-16,18,22,28H,4,7-10,13H2,1-3H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;5-6,9-10,12,14,20-21,26H,4,7-8,11,13H2,1-3H3;2*4-5,8-9,11,13,19-20,25H,6-7,10,12H2,1-3H3;2*3-4,7-8,10,12,18H,5-6,9,11H2,1-2H3/t;;14?,20-,21-;19-,20+;19-,20-;12-,18+;12-,18-/m..01101/s1/i2D3,4D2;3D3;2D3,4D2
• InChIKey: BIUFDRWCEFLHGZ-GOLBBGRPSA-N
• XLogP: 27.78
• TPSA: 461.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 38
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2925.83
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone (CID 157362403) is 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone.

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

The canonical SMILES for 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone is Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@@H](C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@@H](NC(C)C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](C)[C@H](F)C4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)N4CC[C@H](NC(C)C)[C@H](F)C4)cc3c2)s1.[2H]C([2H])([2H])C(NC1CCC(C(=O)Cc2cc3cc(-c4cnc(C)o4)ccc3cn2)CC1)C([2H])([2H])C.[2H]C([2H])([2H])C(N[C@H]1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)C[C@@H]1F)C([2H])([2H])C.[2H]C([2H])([2H])N(CC(C)F)C1CCN(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.

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

The InChIKey is BIUFDRWCEFLHGZ-GOLBBGRPSA-N. The full InChI is InChI=1S/C25H31N3O2.2C23H28FN5OS.2C22H26FN5OS.2C20H21FN4OS/c1-4-16(2)28-22-9-7-18(8-10-22)24(29)13-23-12-21-11-19(5-6-20(21)14-27-23)25-15-26-17(3)30-25;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;1-4-14(2)26-21-7-8-29(13-20(21)24)22(30)11-19-10-18-9-16(5-6-17(18)12-25-19)23-28-27-15(3)31-23;2*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;2*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/h5-6,11-12,14-16,18,22,28H,4,7-10,13H2,1-3H3;4-5,10-11,13,15,21H,6-9,12,14H2,1-3H3;5-6,9-10,12,14,20-21,26H,4,7-8,11,13H2,1-3H3;2*4-5,8-9,11,13,19-20,25H,6-7,10,12H2,1-3H3;2*3-4,7-8,10,12,18H,5-6,9,11H2,1-2H3/t;;14?,20-,21-;19-,20+;19-,20-;12-,18+;12-,18-/m..01101/s1/i2D3,4D2;3D3;2D3,4D2;;;;.

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

1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone has a molecular weight of 2925.83 g/mol, XLogP of 27.78, 38 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S,4R)-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-methylpiperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3S,4S)-3-fluoro-4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,4R)-3-fluoro-4-(propan-2-ylamino)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R,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(trideuteriomethyl)amino]piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[4-(1,1,1,3,3-pentadeuteriobutan-2-ylamino)cyclohexyl]ethanone is sourced from PubChem (CID 157362403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).