2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C151H152FN33O6S5 — CID 158509387

About 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 158509387) has the molecular formula C151H152FN33O6S5 and a molecular weight of 2704.43 g/mol. Its IUPAC name is 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
• PubChem CID: 158509387
• Molecular Formula: C151H152FN33O6S5
• Molecular Weight: 2704.43 g/mol
• Exact Mass: 2702.12
• IUPAC Name: 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
• SMILES: CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N(C)C)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)ccc4cn3)ccn2)CC1.Cc1nnc(-c2cc3cc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)ncc3cc2F)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCN(C)C5)cc3c2)s1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)c1CN1CCCCC1
• InChI: InChI=1S/C31H36N6O.C25H27N7OS.C24H23FN6OS.C24H22N4OS.C24H21N3OS.C23H23N7OS/c1-35-29(22-36-12-4-2-5-13-36)28(21-34-35)23-8-9-25-20-33-27(17-26(25)16-23)19-30(38)24-10-11-32-31(18-24)37-14-6-3-7-15-37;1-30(2)25-29-28-24(34-25)18-4-5-19-16-27-21(13-20(19)12-18)15-22(33)17-6-7-26-23(14-17)32-10-8-31(3)9-11-32;1-15-28-29-24(33-15)20-10-17-9-19(27-14-18(17)11-21(20)25)13-22(32)16-3-4-26-23(12-16)31-7-5-30(2)6-8-31;1-15-26-27-24(30-15)18-4-5-19-13-25-22(11-21(19)10-18)12-23(29)17-3-6-20-14-28(2)8-7-16(20)9-17;1-15-26-27-24(29-15)19-8-9-20-14-25-22(12-21(20)11-19)13-23(28)18-7-6-16-4-2-3-5-17(16)10-18;1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)20(31)13-19-11-18-10-16(2-3-17(18)14-26-19)22-27-28-23(24)32-22/h8-11,16-18,20-21H,2-7,12-15,19,22H2,1H3;4-7,12-14,16H,8-11,15H2,1-3H3;3-4,9-12,14H,5-8,13H2,1-2H3;3-6,9-11,13H,7-8,12,14H2,1-2H3;6-12,14H,2-5,13H2,1H3;2-5,10-12,14H,6-9,13H2,1H3,(H2,24,28)
• InChIKey: HKVZZPCRHUEZJY-UHFFFAOYSA-N
• XLogP: 25.35
• TPSA: 436.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2704.43
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?

The IUPAC name of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 158509387) is 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

What is the SMILES notation for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?

The canonical SMILES for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N(C)C)s5)ccc4cn3)ccn2)CC1.CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5nnc(N)s5)ccc4cn3)ccn2)CC1.Cc1nnc(-c2cc3cc(CC(=O)c4ccnc(N5CCN(C)CC5)c4)ncc3cc2F)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCCC5)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4ccc5c(c4)CCN(C)C5)cc3c2)s1.Cn1ncc(-c2ccc3cnc(CC(=O)c4ccnc(N5CCCCC5)c4)cc3c2)c1CN1CCCCC1.

What is the InChIKey of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?

The InChIKey is HKVZZPCRHUEZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O.C25H27N7OS.C24H23FN6OS.C24H22N4OS.C24H21N3OS.C23H23N7OS/c1-35-29(22-36-12-4-2-5-13-36)28(21-34-35)23-8-9-25-20-33-27(17-26(25)16-23)19-30(38)24-10-11-32-31(18-24)37-14-6-3-7-15-37;1-30(2)25-29-28-24(34-25)18-4-5-19-16-27-21(13-20(19)12-18)15-22(33)17-6-7-26-23(14-17)32-10-8-31(3)9-11-32;1-15-28-29-24(33-15)20-10-17-9-19(27-14-18(17)11-21(20)25)13-22(32)16-3-4-26-23(12-16)31-7-5-30(2)6-8-31;1-15-26-27-24(30-15)18-4-5-19-13-25-22(11-21(19)10-18)12-23(29)17-3-6-20-14-28(2)8-7-16(20)9-17;1-15-26-27-24(29-15)19-8-9-20-14-25-22(12-21(20)11-19)13-23(28)18-7-6-16-4-2-3-5-17(16)10-18;1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)20(31)13-19-11-18-10-16(2-3-17(18)14-26-19)22-27-28-23(24)32-22/h8-11,16-18,20-21H,2-7,12-15,19,22H2,1H3;4-7,12-14,16H,8-11,15H2,1-3H3;3-4,9-12,14H,5-8,13H2,1-2H3;3-6,9-11,13H,7-8,12,14H2,1-2H3;6-12,14H,2-5,13H2,1H3;2-5,10-12,14H,6-9,13H2,1H3,(H2,24,28).

What are the key properties of 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?

2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 2704.43 g/mol, XLogP of 25.35, 31 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(5-amino-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[7-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 158509387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).