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

C23H27N7O3 — CID 169115226

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115226) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
• PubChem CID: 169115226
• Molecular Formula: C23H27N7O3
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.22
• IUPAC Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
• SMILES: CC(C)C(=O)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C
• InChI: InChI=1S/C23H27N7O3/c1-13(2)22(32)29-12-18(15-7-5-4-6-8-15)30(11-14(29)3)23(33)21(31)27-17-10-25-20(24)16-9-26-28-19(16)17/h4-10,13-14,18H,11-12H2,1-3H3,(H2,24,25)(H,26,28)(H,27,31)/t14-,18-/m1/s1
• InChIKey: WVYQTYMQJODDLB-RDTXWAMCSA-N
• XLogP: 1.94
• TPSA: 137.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115226) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide is CC(C)C(=O)N1C[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)C[C@H]1C.

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

The InChIKey is WVYQTYMQJODDLB-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-13(2)22(32)29-12-18(15-7-5-4-6-8-15)30(11-14(29)3)23(33)21(31)27-17-10-25-20(24)16-9-26-28-19(16)17/h4-10,13-14,18H,11-12H2,1-3H3,(H2,24,25)(H,26,28)(H,27,31)/t14-,18-/m1/s1.

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 449.52 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).