2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone

C94H100N24O5S3 — CID 161236509

About 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-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-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone (PubChem CID 161236509) has the molecular formula C94H100N24O5S3 and a molecular weight of 1742.20 g/mol. Its IUPAC name is 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone
• PubChem CID: 161236509
• Molecular Formula: C94H100N24O5S3
• Molecular Weight: 1742.20 g/mol
• Exact Mass: 1740.75
• IUPAC Name: 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone
• SMILES: Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(C)CC5)nn4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C(C)C)CC5)c4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1
• InChI: InChI=1S/C25H28N6OS.C24H25N5O2.C23H24N6OS.C22H23N7OS/c1-16(2)30-8-6-23(7-9-30)31-15-21(14-27-31)24(32)12-22-11-20-10-18(4-5-19(20)13-26-22)25-29-28-17(3)33-25;1-16-25-14-24(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;1-14-24-26-22(31-14)15-3-4-16-12-23-18(10-17(16)9-15)11-21(30)20-13-29(27-25-20)19-5-7-28(2)8-6-19/h4-5,10-11,13-16,23H,6-9,12H2,1-3H3;3-4,9-10,12-15,22H,5-8,11H2,1-2H3;3-4,9-10,12-14,21H,5-8,11H2,1-2H3;3-4,9-10,12-13,19H,5-8,11H2,1-2H3
• InChIKey: UZLAZQFNHQKYGI-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 320.34 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.20
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone?

The IUPAC name of 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone (CID 161236509) is 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone.

What is the SMILES notation for 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone?

The canonical SMILES for 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)o1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cn(C5CCN(C)CC5)nn4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C(C)C)CC5)c4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)c4cnn(C5CCN(C)CC5)c4)cc3c2)s1.

What is the InChIKey of 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone?

The InChIKey is UZLAZQFNHQKYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS.C24H25N5O2.C23H24N6OS.C22H23N7OS/c1-16(2)30-8-6-23(7-9-30)31-15-21(14-27-31)24(32)12-22-11-20-10-18(4-5-19(20)13-26-22)25-29-28-17(3)33-25;1-16-25-14-24(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;1-14-24-26-22(31-14)15-3-4-16-12-23-18(10-17(16)9-15)11-21(30)20-13-29(27-25-20)19-5-7-28(2)8-6-19/h4-5,10-11,13-16,23H,6-9,12H2,1-3H3;3-4,9-10,12-15,22H,5-8,11H2,1-2H3;3-4,9-10,12-14,21H,5-8,11H2,1-2H3;3-4,9-10,12-13,19H,5-8,11H2,1-2H3.

What are the key properties of 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-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-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone has a molecular weight of 1742.20 g/mol, XLogP of 16.11, 21 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)triazol-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-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 161236509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).