1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C23H25N7OS — CID 90514308

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90514308) has the molecular formula C23H25N7OS and a molecular weight of 447.57 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 90514308
• Molecular Formula: C23H25N7OS
• Molecular Weight: 447.57 g/mol
• Exact Mass: 447.18
• IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc2nc(NC(=O)C3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)sc2c1
• InChI: InChI=1S/C23H25N7OS/c1-14-4-5-18-19(12-14)32-23(24-18)25-22(31)17-8-10-29(11-9-17)20-6-7-21(27-26-20)30-16(3)13-15(2)28-30/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,25,31)
• InChIKey: BALIEKNZZWNHDC-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.57
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90514308) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(NC(=O)C3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)sc2c1.

What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is BALIEKNZZWNHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS/c1-14-4-5-18-19(12-14)32-23(24-18)25-22(31)17-8-10-29(11-9-17)20-6-7-21(27-26-20)30-16(3)13-15(2)28-30/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,25,31).

What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 447.57 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90514308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).