1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C21H20N6O2 — CID 99993764

About 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 99993764) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 99993764
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C21H20N6O2/c28-21(17-11-15-5-1-2-6-16(15)24-17)27-9-3-4-14(13-27)10-19-25-20(26-29-19)18-12-22-7-8-23-18/h1-2,5-8,11-12,14,24H,3-4,9-10,13H2/t14-/m1/s1
• InChIKey: BIMNMHBCQQADNI-CQSZACIVSA-N
• XLogP: 3.10
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 99993764) is 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is BIMNMHBCQQADNI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-21(17-11-15-5-1-2-6-16(15)24-17)27-9-3-4-14(13-27)10-19-25-20(26-29-19)18-12-22-7-8-23-18/h1-2,5-8,11-12,14,24H,3-4,9-10,13H2/t14-/m1/s1.

What are the key properties of 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-2-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99993764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).