2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

C131H128N26O8S2 — CID 161237807

About 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (PubChem CID 161237807) has the molecular formula C131H128N26O8S2 and a molecular weight of 2258.77 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• PubChem CID: 161237807
• Molecular Formula: C131H128N26O8S2
• Molecular Weight: 2258.77 g/mol
• Exact Mass: 2256.98
• IUPAC Name: 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
• SMILES: Cc1ccc(C(=O)Cc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1.Cc1ncc(-c2ccc3cnc(CC(=O)Cn4cccc4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccn(C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C(C)C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1
• InChI: InChI=1S/C24H25N5O2.C23H24N6OS.C22H23N5O.C21H20N4O.C21H19N3OS.C20H17N3O2/c1-16-25-14-24(31-16)17-3-4-18-12-26-21(10-19(18)9-17)11-23(30)20-13-27-29(15-20)22-5-7-28(2)8-6-22;1-15-26-27-23(31-15)16-3-4-17-12-24-20(10-18(17)9-16)11-22(30)19-13-25-29(14-19)21-5-7-28(2)8-6-21;1-14(2)27-13-19(11-25-27)22(28)9-20-8-18-7-16(5-6-17(18)10-24-20)21-12-23-15(3)26(21)4;1-14-22-12-20(25(14)3)15-4-5-16-11-23-19(9-18(16)8-15)10-21(26)17-6-7-24(2)13-17;1-13-4-7-21(26-13)20(25)10-18-9-17-8-15(5-6-16(17)11-23-18)19-12-22-14(2)24(19)3;1-14-21-12-20(25-14)15-4-5-16-11-22-18(9-17(16)8-15)10-19(24)13-23-6-2-3-7-23/h3-4,9-10,12-15,22H,5-8,11H2,1-2H3;3-4,9-10,12-14,21H,5-8,11H2,1-2H3;5-8,10-14H,9H2,1-4H3;4-9,11-13H,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;2-9,11-12H,10,13H2,1H3
• InChIKey: UZPIUXORPRVQSL-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 380.86 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.77
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone (CID 161237807) is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone.

What is the SMILES notation for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The canonical SMILES for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is Cc1ccc(C(=O)Cc2cc3cc(-c4cnc(C)n4C)ccc3cn2)s1.Cc1ncc(-c2ccc3cnc(CC(=O)Cn4cccc4)cc3c2)o1.Cc1ncc(-c2ccc3cnc(CC(=O)c4ccn(C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C(C)C)c4)cc3c2)n1C.Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1.

What is the InChIKey of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

The InChIKey is UZPIUXORPRVQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H24N6OS.C22H23N5O.C21H20N4O.C21H19N3OS.C20H17N3O2/c1-16-25-14-24(31-16)17-3-4-18-12-26-21(10-19(18)9-17)11-23(30)20-13-27-29(15-20)22-5-7-28(2)8-6-22;1-15-26-27-23(31-15)16-3-4-17-12-24-20(10-18(17)9-16)11-22(30)19-13-25-29(14-19)21-5-7-28(2)8-6-21;1-14(2)27-13-19(11-25-27)22(28)9-20-8-18-7-16(5-6-17(18)10-24-20)21-12-23-15(3)26(21)4;1-14-22-12-20(25(14)3)15-4-5-16-11-23-19(9-18(16)8-15)10-21(26)17-6-7-24(2)13-17;1-13-4-7-21(26-13)20(25)10-18-9-17-8-15(5-6-16(17)11-23-18)19-12-22-14(2)24(19)3;1-14-21-12-20(25-14)15-4-5-16-11-22-18(9-17(16)8-15)10-19(24)13-23-6-2-3-7-23/h3-4,9-10,12-15,22H,5-8,11H2,1-2H3;3-4,9-10,12-14,21H,5-8,11H2,1-2H3;5-8,10-14H,9H2,1-4H3;4-9,11-13H,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;2-9,11-12H,10,13H2,1H3.

What are the key properties of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone?

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone has a molecular weight of 2258.77 g/mol, XLogP of 24.44, 28 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrol-3-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(5-methylthiophen-2-yl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-3-pyrrol-1-ylpropan-2-one;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 161237807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).