tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

C25H35N7O5 — CID 137025759

About tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 137025759) has the molecular formula C25H35N7O5 and a molecular weight of 513.60 g/mol. Its IUPAC name is tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
• PubChem CID: 137025759
• Molecular Formula: C25H35N7O5
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.27
• IUPAC Name: tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
• SMILES: CC(CN1CCOCC1)c1nnc(-c2cnn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c23)o1
• InChI: InChI=1S/C25H35N7O5/c1-16(15-30-9-11-35-12-10-30)22-28-29-23(36-22)18-14-26-32-19(13-20(33)27-21(18)32)17-5-7-31(8-6-17)24(34)37-25(2,3)4/h13-14,16-17H,5-12,15H2,1-4H3,(H,27,33)
• InChIKey: ZEWGBBHFZWVOIH-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 131.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate (CID 137025759) is tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is CC(CN1CCOCC1)c1nnc(-c2cnn3c(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)[nH]c23)o1.

What is the InChIKey of tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?

The InChIKey is ZEWGBBHFZWVOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O5/c1-16(15-30-9-11-35-12-10-30)22-28-29-23(36-22)18-14-26-32-19(13-20(33)27-21(18)32)17-5-7-31(8-6-17)24(34)37-25(2,3)4/h13-14,16-17H,5-12,15H2,1-4H3,(H,27,33).

What are the key properties of tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate?

tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 513.60 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137025759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).