[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone

C21H22N6O2 — CID 135887094

IUPAC[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H22N6O2/c1-12-18(25-19(22-12)21(28)27-8-4-3-5-9-27)14-6-7-16-15(10-14)11-17(24-16)20-23-13(2)26-29-20/h6-7,10-11,24H,3-5,8-9H2,1-2H3,(H,22,25)
InChIKeyFRFQQYBENGJVBT-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.85
Rot. Bonds3

About [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone

[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 135887094) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone
PubChem CID135887094
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone
SMILESCc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCCC5)[nH]c4C)ccc3[nH]2)n1
InChIInChI=1S/C21H22N6O2/c1-12-18(25-19(22-12)21(28)27-8-4-3-5-9-27)14-6-7-16-15(10-14)11-17(24-16)20-23-13(2)26-29-20/h6-7,10-11,24H,3-5,8-9H2,1-2H3,(H,22,25)
InChIKeyFRFQQYBENGJVBT-UHFFFAOYSA-N
XLogP3.85
TPSA103.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone (CID 135887094) is [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone is Cc1noc(-c2cc3cc(-c4nc(C(=O)N5CCCCC5)[nH]c4C)ccc3[nH]2)n1.
What is the InChIKey of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is FRFQQYBENGJVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-18(25-19(22-12)21(28)27-8-4-3-5-9-27)14-6-7-16-15(10-14)11-17(24-16)20-23-13(2)26-29-20/h6-7,10-11,24H,3-5,8-9H2,1-2H3,(H,22,25).
What are the key properties of [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone?
[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 390.45 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-imidazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 135887094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).