N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

C23H26N8O — CID 78825870

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 78825870) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
• PubChem CID: 78825870
• Molecular Formula: C23H26N8O
• Molecular Weight: 430.52 g/mol
• Exact Mass: 430.22
• IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
• SMILES: Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)n1
• InChI: InChI=1S/C23H26N8O/c1-16-10-17(2)26-23(25-16)31-21(11-18(3)28-31)27-22(32)15-29(4)13-19-12-24-30(14-19)20-8-6-5-7-9-20/h5-12,14H,13,15H2,1-4H3,(H,27,32)
• InChIKey: VIXNXZNOGNJSMU-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.52
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?

The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide (CID 78825870) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide.

What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?

The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)n1.

What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?

The InChIKey is VIXNXZNOGNJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-16-10-17(2)26-23(25-16)31-21(11-18(3)28-31)27-22(32)15-29(4)13-19-12-24-30(14-19)20-8-6-5-7-9-20/h5-12,14H,13,15H2,1-4H3,(H,27,32).

What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide?

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 430.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 78825870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).