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

C25H36N4O6 — CID 155167042

About 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-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155167042) has the molecular formula C25H36N4O6 and a molecular weight of 488.59 g/mol. Its IUPAC name is 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-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
• PubChem CID: 155167042
• Molecular Formula: C25H36N4O6
• Molecular Weight: 488.59 g/mol
• Exact Mass: 488.26
• IUPAC Name: 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
• InChI: InChI=1S/C25H36N4O6/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/h13-16H,8-12H2,1-7H3,(H,26,31)
• InChIKey: CWTBFZWEIOCQHU-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.59
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155167042) is 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-[(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-[(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.

What is the InChIKey of 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 CWTBFZWEIOCQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O6/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/h13-16H,8-12H2,1-7H3,(H,26,31).

What are the key properties of 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-[(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 488.59 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 155167042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).