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

C24H29N7O3 — CID 169115703

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

N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115703) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide
• PubChem CID: 169115703
• Molecular Formula: C24H29N7O3
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.23
• IUPAC Name: N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-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)c3c2cnn3C)C[C@H]1C
• InChI: InChI=1S/C24H29N7O3/c1-14(2)23(33)30-13-19(16-8-6-5-7-9-16)31(12-15(30)3)24(34)22(32)28-18-11-26-21(25)20-17(18)10-27-29(20)4/h5-11,14-15,19H,12-13H2,1-4H3,(H2,25,26)(H,28,32)/t15-,19-/m1/s1
• InChIKey: NBXPBLOMNNOJMT-DNVCBOLYSA-N
• XLogP: 1.95
• TPSA: 126.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	1.95
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 N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115703) is N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide.

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

The canonical SMILES for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-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)c3c2cnn3C)C[C@H]1C.

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

The InChIKey is NBXPBLOMNNOJMT-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14(2)23(33)30-13-19(16-8-6-5-7-9-16)31(12-15(30)3)24(34)22(32)28-18-11-26-21(25)20-17(18)10-27-29(20)4/h5-11,14-15,19H,12-13H2,1-4H3,(H2,25,26)(H,28,32)/t15-,19-/m1/s1.

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

N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 463.54 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2S,5R)-5-methyl-4-(2-methylpropanoyl)-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).