(4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

C21H20N6O2 — CID 92561706

About (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone

(4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 92561706) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 92561706
• Molecular Formula: C21H20N6O2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.16
• IUPAC Name: (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cn1
• InChI: InChI=1S/C21H20N6O2/c1-12-4-3-5-16-15(12)8-17(24-16)21(28)27-7-6-14(11-27)19-25-26-20(29-19)18-10-22-13(2)9-23-18/h3-5,8-10,14,24H,6-7,11H2,1-2H3/t14-/m0/s1
• InChIKey: FYYLGMNDPZSKQO-AWEZNQCLSA-N
• XLogP: 3.25
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 92561706) is (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

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

The canonical SMILES for (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cn1.

What is the InChIKey of (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is FYYLGMNDPZSKQO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12-4-3-5-16-15(12)8-17(24-16)21(28)27-7-6-14(11-27)19-25-26-20(29-19)18-10-22-13(2)9-23-18/h3-5,8-10,14,24H,6-7,11H2,1-2H3/t14-/m0/s1.

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

(4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1H-indol-2-yl)-[(3S)-3-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92561706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).