ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate

C40H56N8O8 — CID 165060840

About ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 165060840) has the molecular formula C40H56N8O8 and a molecular weight of 776.94 g/mol. Its IUPAC name is ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
• PubChem CID: 165060840
• Molecular Formula: C40H56N8O8
• Molecular Weight: 776.94 g/mol
• Exact Mass: 776.42
• IUPAC Name: ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
• SMILES: CCOC(=O)c1cn2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1NC(=O)OC(C)(C)C.CCOC(=O)c1cn2nc(C3CCNCC3)cc2cc1N
• InChI: InChI=1S/C25H36N4O6.C15H20N4O2/c1-8-33-21(30)18-15-29-17(14-20(18)26-22(31)34-24(2,3)4)13-19(27-29)16-9-11-28(12-10-16)23(32)35-25(5,6)7;1-2-21-15(20)12-9-19-11(7-13(12)16)8-14(18-19)10-3-5-17-6-4-10/h13-16H,8-12H2,1-7H3,(H,26,31);7-10,17H,2-6,16H2,1H3
• InChIKey: REBCTFVNWYJCGJ-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 193.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	776.94
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate?

The IUPAC name of ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 165060840) is ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate.

What is the SMILES notation for ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate?

The canonical SMILES for ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1cn2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1NC(=O)OC(C)(C)C.CCOC(=O)c1cn2nc(C3CCNCC3)cc2cc1N.

What is the InChIKey of ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate?

The InChIKey is REBCTFVNWYJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O6.C15H20N4O2/c1-8-33-21(30)18-15-29-17(14-20(18)26-22(31)34-24(2,3)4)13-19(27-29)16-9-11-28(12-10-16)23(32)35-25(5,6)7;1-2-21-15(20)12-9-19-11(7-13(12)16)8-14(18-19)10-3-5-17-6-4-10/h13-16H,8-12H2,1-7H3,(H,26,31);7-10,17H,2-6,16H2,1H3.

What are the key properties of ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate?

ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 776.94 g/mol, XLogP of 6.53, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-amino-2-piperidin-4-ylpyrazolo[1,5-a]pyridine-6-carboxylate;ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 165060840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).