1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide

C28H33N7O — CID 108746908

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 108746908) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
• PubChem CID: 108746908
• Molecular Formula: C28H33N7O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.27
• IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)cc(C)c2c1
• InChI: InChI=1S/C28H33N7O/c1-16-11-18(3)26-23(12-16)17(2)13-24(31-26)35-25(15-21(6)33-35)32-27(36)22-7-9-34(10-8-22)28-29-19(4)14-20(5)30-28/h11-15,22H,7-10H2,1-6H3,(H,32,36)
• InChIKey: ACRBMRQLQAZESG-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide (CID 108746908) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide is Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CCN(c4nc(C)cc(C)n4)CC3)cc(C)c2c1.

What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide?

The InChIKey is ACRBMRQLQAZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-16-11-18(3)26-23(12-16)17(2)13-24(31-26)35-25(15-21(6)33-35)32-27(36)22-7-9-34(10-8-22)28-29-19(4)14-20(5)30-28/h11-15,22H,7-10H2,1-6H3,(H,32,36).

What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide?

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 108746908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).