2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide

C22H25N7O3 — CID 169115611

About 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide

2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide (PubChem CID 169115611) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
• PubChem CID: 169115611
• Molecular Formula: C22H25N7O3
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.20
• IUPAC Name: 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide
• SMILES: CC(=O)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)C[C@H]1C
• InChI: InChI=1S/C22H25N7O3/c1-13-11-29(18(12-28(13)14(2)30)15-7-5-4-6-8-15)22(32)21(31)26-17-10-24-20(23)19-16(17)9-25-27(19)3/h4-10,13,18H,11-12H2,1-3H3,(H2,23,24)(H,26,31)/t13-,18-/m1/s1
• InChIKey: ZOZRQVVPNIDEMD-FZKQIMNGSA-N
• XLogP: 1.31
• TPSA: 126.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?

The IUPAC name of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide (CID 169115611) is 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide.

What is the SMILES notation for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?

The canonical SMILES for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide is CC(=O)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3c2cnn3C)C[C@H]1C.

What is the InChIKey of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?

The InChIKey is ZOZRQVVPNIDEMD-FZKQIMNGSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-13-11-29(18(12-28(13)14(2)30)15-7-5-4-6-8-15)22(32)21(31)26-17-10-24-20(23)19-16(17)9-25-27(19)3/h4-10,13,18H,11-12H2,1-3H3,(H2,23,24)(H,26,31)/t13-,18-/m1/s1.

What are the key properties of 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide?

2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide has a molecular weight of 435.49 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,5R)-4-acetyl-5-methyl-2-phenylpiperazin-1-yl]-N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 169115611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).