[3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone

C27H22N8O2 — CID 154844131

About [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone

[3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone (PubChem CID 154844131) has the molecular formula C27H22N8O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone
• PubChem CID: 154844131
• Molecular Formula: C27H22N8O2
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.19
• IUPAC Name: [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone
• SMILES: O=C(c1ccc2[nH]ncc2c1)N1CCCC(c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)C1
• InChI: InChI=1S/C27H22N8O2/c36-27(17-7-9-21-20(12-17)14-30-32-21)34-11-3-4-19(15-34)26-31-25(33-37-26)18-8-10-24(28-13-18)35-16-29-22-5-1-2-6-23(22)35/h1-2,5-10,12-14,16,19H,3-4,11,15H2,(H,30,32)
• InChIKey: ICZAADCQDGYEPM-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 118.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone?

The IUPAC name of [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone (CID 154844131) is [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone.

What is the SMILES notation for [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone?

The canonical SMILES for [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCCC(c2nc(-c3ccc(-n4cnc5ccccc54)nc3)no2)C1.

What is the InChIKey of [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone?

The InChIKey is ICZAADCQDGYEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O2/c36-27(17-7-9-21-20(12-17)14-30-32-21)34-11-3-4-19(15-34)26-31-25(33-37-26)18-8-10-24(28-13-18)35-16-29-22-5-1-2-6-23(22)35/h1-2,5-10,12-14,16,19H,3-4,11,15H2,(H,30,32).

What are the key properties of [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone?

[3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone has a molecular weight of 490.53 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[6-(benzimidazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 154844131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).