1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

C24H26N6OS — CID 123145286

About 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (PubChem CID 123145286) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 123145286
• Molecular Formula: C24H26N6OS
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.19
• IUPAC Name: 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1cn2nc(C3CCCCN3C(=O)c3ccc4ncsc4c3)cc2nc1N1CCCC1
• InChI: InChI=1S/C24H26N6OS/c1-16-14-30-22(26-23(16)28-9-4-5-10-28)13-19(27-30)20-6-2-3-11-29(20)24(31)17-7-8-18-21(12-17)32-15-25-18/h7-8,12-15,20H,2-6,9-11H2,1H3
• InChIKey: VLRRSDVVJYKAPL-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 66.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone (CID 123145286) is 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is Cc1cn2nc(C3CCCCN3C(=O)c3ccc4ncsc4c3)cc2nc1N1CCCC1.

What is the InChIKey of 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?

The InChIKey is VLRRSDVVJYKAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-16-14-30-22(26-23(16)28-9-4-5-10-28)13-19(27-30)20-6-2-3-11-29(20)24(31)17-7-8-18-21(12-17)32-15-25-18/h7-8,12-15,20H,2-6,9-11H2,1H3.

What are the key properties of 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone?

1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 446.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-6-yl-[2-(6-methyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 123145286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).