1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

C27H31N7O — CID 108747623

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 108747623) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
• PubChem CID: 108747623
• Molecular Formula: C27H31N7O
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.26
• IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)nc(N2CCC(C(=O)Nc3cc(C)nn3-c3cc(C)c4cccc(C)c4n3)CC2)n1
• InChI: InChI=1S/C27H31N7O/c1-16-7-6-8-22-17(2)13-23(30-25(16)22)34-24(15-20(5)32-34)31-26(35)21-9-11-33(12-10-21)27-28-18(3)14-19(4)29-27/h6-8,13-15,21H,9-12H2,1-5H3,(H,31,35)
• InChIKey: DDYIDAZRMOATCQ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	4.61
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-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide (CID 108747623) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3cc(C)nn3-c3cc(C)c4cccc(C)c4n3)CC2)n1.

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

The InChIKey is DDYIDAZRMOATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-16-7-6-8-22-17(2)13-23(30-25(16)22)34-24(15-20(5)32-34)31-26(35)21-9-11-33(12-10-21)27-28-18(3)14-19(4)29-27/h6-8,13-15,21H,9-12H2,1-5H3,(H,31,35).

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

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.61, 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-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 108747623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).