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

C24H29N7O3 — CID 169115690

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (PubChem CID 169115690) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
• PubChem CID: 169115690
• Molecular Formula: C24H29N7O3
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.23
• IUPAC Name: N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide
• SMILES: C[C@@H]1CN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)[C@@H](c2ccccc2)CN1C(=O)C(C)(C)C
• InChI: InChI=1S/C24H29N7O3/c1-14-12-31(18(15-8-6-5-7-9-15)13-30(14)23(34)24(2,3)4)22(33)21(32)28-17-11-26-20(25)16-10-27-29-19(16)17/h5-11,14,18H,12-13H2,1-4H3,(H2,25,26)(H,27,29)(H,28,32)/t14-,18-/m1/s1
• InChIKey: IITQCMAPQGVNPH-RDTXWAMCSA-N
• XLogP: 2.33
• TPSA: 137.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	2.33
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)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide (CID 169115690) is N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-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)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is C[C@@H]1CN(C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)[C@@H](c2ccccc2)CN1C(=O)C(C)(C)C.

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

The InChIKey is IITQCMAPQGVNPH-RDTXWAMCSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-14-12-31(18(15-8-6-5-7-9-15)13-30(14)23(34)24(2,3)4)22(33)21(32)28-17-11-26-20(25)16-10-27-29-19(16)17/h5-11,14,18H,12-13H2,1-4H3,(H2,25,26)(H,27,29)(H,28,32)/t14-,18-/m1/s1.

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

N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2S,5R)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide has a molecular weight of 463.54 g/mol, XLogP of 2.33, 2 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)-4-(2,2-dimethylpropanoyl)-5-methyl-2-phenylpiperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169115690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).