Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate

C₄₉H₅₅N₁₇O₆ — CID 174231478

About Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate

Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 174231478) has the molecular formula C₄₉H₅₅N₁₇O₆ and a molecular weight of 978.09 g/mol. Its IUPAC name is tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 174231478
• Molecular Formula: C₄₉H₅₅N₁₇O₆
• Molecular Weight: 978.09 g/mol
• Exact Mass: 977.45
• IUPAC Name: tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(-c5ccccn5)o4)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(-c5cnccn5)o4)c3)cn2)CC1
• InChI: InChI=1S/C25H28N8O3.C24H27N9O3/c1-25(2,3)36-24(34)32-10-7-18(8-11-32)33-15-17(14-29-33)16-12-19(21(26)28-13-16)22-30-31-23(35-22)20-6-4-5-9-27-20;1-24(2,3)36-23(34)32-8-4-17(5-9-32)33-14-16(12-29-33)15-10-18(20(25)28-11-15)21-30-31-22(35-21)19-13-26-6-7-27-19/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H2,26,28);6-7,10-14,17H,4-5,8-9H2,1-3H3,(H2,25,28)
• InChIKey: OTKOTCYBVZNFBM-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 289.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.09
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate (CID 174231478) is tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(-c5ccccn5)o4)c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nnc(-c5cnccn5)o4)c3)cn2)CC1.

What is the InChIKey of Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is OTKOTCYBVZNFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3.C24H27N9O3/c1-25(2,3)36-24(34)32-10-7-18(8-11-32)33-15-17(14-29-33)16-12-19(21(26)28-13-16)22-30-31-23(35-22)20-6-4-5-9-27-20;1-24(2,3)36-23(34)32-8-4-17(5-9-32)33-14-16(12-29-33)15-10-18(20(25)28-11-15)21-30-31-22(35-21)19-13-26-6-7-27-19/h4-6,9,12-15,18H,7-8,10-11H2,1-3H3,(H2,26,28);6-7,10-14,17H,4-5,8-9H2,1-3H3,(H2,25,28).

What are the key properties of Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate?

Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 978.09 g/mol, XLogP of 7.82, 8 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-[4-[6-amino-5-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-amino-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 174231478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174231478 — identifiers, structure, computed properties (public domain)

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