bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine

C83H97N25O9 — CID 164970377

About bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine (PubChem CID 164970377) has the molecular formula C83H97N25O9 and a molecular weight of 1588.85 g/mol. Its IUPAC name is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine
• PubChem CID: 164970377
• Molecular Formula: C83H97N25O9
• Molecular Weight: 1588.85 g/mol
• Exact Mass: 1587.79
• IUPAC Name: bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine
• SMILES: C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3n2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3n2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3n2)cnc1N.Cc1cc(NC(=O)C(=O)O)cnc1C
• InChI: InChI=1S/C22H25N5O2.2C20H23N7O2.C12H16N4.C9H10N2O3/c1-13-4-7-20(16-5-6-19-17(9-16)10-24-26-19)27(12-13)22(29)21(28)25-18-8-14(2)15(3)23-11-18;2*1-11-3-6-17(15-5-4-14-16(25-15)9-23-26-14)27(10-11)20(29)19(28)24-13-7-12(2)18(21)22-8-13;1-8-2-3-9(13-6-8)10-4-5-11-12(15-10)7-14-16-11;1-5-3-7(4-10-6(5)2)11-8(12)9(13)14/h5-6,8-11,13,20H,4,7,12H2,1-3H3,(H,24,26)(H,25,28);2*4-5,7-9,11,17H,3,6,10H2,1-2H3,(H2,21,22)(H,23,26)(H,24,28);4-5,7-9,13H,2-3,6H2,1H3,(H,14,16);3-4H,1-2H3,(H,11,12)(H,13,14)/t13-,20+;2*11-,17+;8-,9+;/m1111./s1
• InChIKey: DARXUDZESFCOSE-LVNMCYLSSA-N
• XLogP: 10.62
• TPSA: 483.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1588.85
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine?

The IUPAC name of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine (CID 164970377) is bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine.

What is the SMILES notation for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine?

The canonical SMILES for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine is C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3n2)NC1.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3c2)cnc1C.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3n2)cnc1N.Cc1cc(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc3[nH]ncc3n2)cnc1N.Cc1cc(NC(=O)C(=O)O)cnc1C.

What is the InChIKey of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine?

The InChIKey is DARXUDZESFCOSE-LVNMCYLSSA-N. The full InChI is InChI=1S/C22H25N5O2.2C20H23N7O2.C12H16N4.C9H10N2O3/c1-13-4-7-20(16-5-6-19-17(9-16)10-24-26-19)27(12-13)22(29)21(28)25-18-8-14(2)15(3)23-11-18;2*1-11-3-6-17(15-5-4-14-16(25-15)9-23-26-14)27(10-11)20(29)19(28)24-13-7-12(2)18(21)22-8-13;1-8-2-3-9(13-6-8)10-4-5-11-12(15-10)7-14-16-11;1-5-3-7(4-10-6(5)2)11-8(12)9(13)14/h5-6,8-11,13,20H,4,7,12H2,1-3H3,(H,24,26)(H,25,28);2*4-5,7-9,11,17H,3,6,10H2,1-2H3,(H2,21,22)(H,23,26)(H,24,28);4-5,7-9,13H,2-3,6H2,1H3,(H,14,16);3-4H,1-2H3,(H,11,12)(H,13,14)/t13-,20+;2*11-,17+;8-,9+;/m1111./s1.

What are the key properties of bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine?

bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 1588.85 g/mol, XLogP of 10.62, 8 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)piperidin-1-yl]-2-oxoacetamide);2-[(5,6-dimethyl-3-pyridinyl)amino]-2-oxoacetic acid;N-(5,6-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 164970377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).