1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

C181H214F2N32O8S8 — CID 159369191

About 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (PubChem CID 159369191) has the molecular formula C181H214F2N32O8S8 and a molecular weight of 3260.45 g/mol. Its IUPAC name is 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

• Compound Name: 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
• PubChem CID: 159369191
• Molecular Formula: C181H214F2N32O8S8
• Molecular Weight: 3260.45 g/mol
• Exact Mass: 3257.51
• IUPAC Name: 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
• SMILES: CCCN1CCC(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.Cc1nnc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C5CC5)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1
• InChI: InChI=1S/2C23H27FN4OS.3C23H28N4OS.C22H24N4OS.2C22H26N4OS/c1-15-26-27-22(30-15)17-4-5-18-13-25-20(11-19(18)10-17)12-21(29)16-6-8-28(9-7-16)14-23(2,3)24;1-15(2)14-28-8-6-23(24,7-9-28)21(29)12-20-11-19-10-17(4-5-18(19)13-25-20)22-27-26-16(3)30-22;3*1-15(2)14-27-8-6-17(7-9-27)22(28)12-21-11-20-10-18(4-5-19(20)13-24-21)23-26-25-16(3)29-23;1-14-24-25-22(28-14)16-2-3-17-13-23-19(11-18(17)10-16)12-21(27)15-6-8-26(9-7-15)20-4-5-20;1-14(2)26-8-6-16(7-9-26)21(27)12-20-11-19-10-17(4-5-18(19)13-23-20)22-25-24-15(3)28-22;1-3-8-26-9-6-16(7-10-26)21(27)13-20-12-19-11-17(4-5-18(19)14-23-20)22-25-24-15(2)28-22/h4-5,10-11,13,16H,6-9,12,14H2,1-3H3;4-5,10-11,13,15H,6-9,12,14H2,1-3H3;3*4-5,10-11,13,15,17H,6-9,12,14H2,1-3H3;2-3,10-11,13,15,20H,4-9,12H2,1H3;4-5,10-11,13-14,16H,6-9,12H2,1-3H3;4-5,11-12,14,16H,3,6-10,13H2,1-2H3
• InChIKey: LJNFYDJQBGMOEM-UHFFFAOYSA-N
• XLogP: 35.53
• TPSA: 471.84 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 46
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3260.45
LogP ≤ 5	35.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The IUPAC name of 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (CID 159369191) is 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

What is the SMILES notation for 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The canonical SMILES for 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is CCCN1CCC(C(=O)Cc2cc3cc(-c4nnc(C)s4)ccc3cn2)CC1.Cc1nnc(-c2ccc3cnc(CC(=O)C4(F)CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C5CC5)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(C)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)C)CC4)cc3c2)s1.

What is the InChIKey of 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

The InChIKey is LJNFYDJQBGMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27FN4OS.3C23H28N4OS.C22H24N4OS.2C22H26N4OS/c1-15-26-27-22(30-15)17-4-5-18-13-25-20(11-19(18)10-17)12-21(29)16-6-8-28(9-7-16)14-23(2,3)24;1-15(2)14-28-8-6-23(24,7-9-28)21(29)12-20-11-19-10-17(4-5-18(19)13-25-20)22-27-26-16(3)30-22;3*1-15(2)14-27-8-6-17(7-9-27)22(28)12-21-11-20-10-18(4-5-19(20)13-24-21)23-26-25-16(3)29-23;1-14-24-25-22(28-14)16-2-3-17-13-23-19(11-18(17)10-16)12-21(27)15-6-8-26(9-7-15)20-4-5-20;1-14(2)26-8-6-16(7-9-26)21(27)12-20-11-19-10-17(4-5-18(19)13-23-20)22-25-24-15(3)28-22;1-3-8-26-9-6-16(7-10-26)21(27)13-20-12-19-11-17(4-5-18(19)14-23-20)22-25-24-15(2)28-22/h4-5,10-11,13,16H,6-9,12,14H2,1-3H3;4-5,10-11,13,15H,6-9,12,14H2,1-3H3;3*4-5,10-11,13,15,17H,6-9,12,14H2,1-3H3;2-3,10-11,13,15,20H,4-9,12H2,1H3;4-5,10-11,13-14,16H,6-9,12H2,1-3H3;4-5,11-12,14,16H,3,6-10,13H2,1-2H3.

What are the key properties of 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?

1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 3260.45 g/mol, XLogP of 35.53, 46 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopropylpiperidin-4-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;tris(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone);2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 159369191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).