[4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone

C23H28N6O3 — CID 142520897

About [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone

[4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone (PubChem CID 142520897) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone.

Molecular Properties

• Compound Name: [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
• PubChem CID: 142520897
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
• SMILES: O=C(C1CC2(CC2)C1)N1CCN(c2nnc(-c3ccc4c(c3)N(C3COC3)NC4)o2)CC1
• InChI: InChI=1S/C23H28N6O3/c30-21(17-10-23(11-17)3-4-23)27-5-7-28(8-6-27)22-26-25-20(32-22)15-1-2-16-12-24-29(19(16)9-15)18-13-31-14-18/h1-2,9,17-18,24H,3-8,10-14H2
• InChIKey: UHNHTOWJHOIJES-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 86.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone?

The IUPAC name of [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone (CID 142520897) is [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone.

What is the SMILES notation for [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone?

The canonical SMILES for [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone is O=C(C1CC2(CC2)C1)N1CCN(c2nnc(-c3ccc4c(c3)N(C3COC3)NC4)o2)CC1.

What is the InChIKey of [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone?

The InChIKey is UHNHTOWJHOIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c30-21(17-10-23(11-17)3-4-23)27-5-7-28(8-6-27)22-26-25-20(32-22)15-1-2-16-12-24-29(19(16)9-15)18-13-31-14-18/h1-2,9,17-18,24H,3-8,10-14H2.

What are the key properties of [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone?

[4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone has a molecular weight of 436.52 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[1-(oxetan-3-yl)-2,3-dihydroindazol-6-yl]-1,3,4-oxadiazol-2-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone is sourced from PubChem (CID 142520897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).