[7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone

C32H38N8O3 — CID 170756383

About [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone

[7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone (PubChem CID 170756383) has the molecular formula C32H38N8O3 and a molecular weight of 582.71 g/mol. Its IUPAC name is [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone.

Molecular Properties

• Compound Name: [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
• PubChem CID: 170756383
• Molecular Formula: C32H38N8O3
• Molecular Weight: 582.71 g/mol
• Exact Mass: 582.31
• IUPAC Name: [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
• SMILES: Cc1cc(C)n([C@@H](C)c2nc(C3CN(C(=O)c4cnn(Cc5ccccc5)c4)CC34CN(C(=O)[C@H]3CC3(C)C)C4)no2)n1
• InChI: InChI=1S/C32H38N8O3/c1-20-11-21(2)40(35-20)22(3)28-34-27(36-43-28)26-16-37(17-32(26)18-38(19-32)30(42)25-12-31(25,4)5)29(41)24-13-33-39(15-24)14-23-9-7-6-8-10-23/h6-11,13,15,22,25-26H,12,14,16-19H2,1-5H3/t22-,25+,26?/m0/s1
• InChIKey: ROSVCENWNGMXBN-OTRRWNHKSA-N
• XLogP: 3.85
• TPSA: 115.18 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.71
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone?

The IUPAC name of [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone (CID 170756383) is [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone.

What is the SMILES notation for [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone?

The canonical SMILES for [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone is Cc1cc(C)n([C@@H](C)c2nc(C3CN(C(=O)c4cnn(Cc5ccccc5)c4)CC34CN(C(=O)[C@H]3CC3(C)C)C4)no2)n1.

What is the InChIKey of [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone?

The InChIKey is ROSVCENWNGMXBN-OTRRWNHKSA-N. The full InChI is InChI=1S/C32H38N8O3/c1-20-11-21(2)40(35-20)22(3)28-34-27(36-43-28)26-16-37(17-32(26)18-38(19-32)30(42)25-12-31(25,4)5)29(41)24-13-33-39(15-24)14-23-9-7-6-8-10-23/h6-11,13,15,22,25-26H,12,14,16-19H2,1-5H3/t22-,25+,26?/m0/s1.

What are the key properties of [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone?

[7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone has a molecular weight of 582.71 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(1-benzylpyrazole-4-carbonyl)-5-[5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone is sourced from PubChem (CID 170756383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).