piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

C21H24N6O2 — CID 22912973

IUPACpiperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC(C)c1noc(-c2ncn3c2CN(C(=O)N2CCCCC2)c2ccccc2-3)n1
InChIInChI=1S/C21H24N6O2/c1-14(2)19-23-20(29-24-19)18-17-12-26(21(28)25-10-6-3-7-11-25)15-8-4-5-9-16(15)27(17)13-22-18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyNNHBJBRRYZRQNK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.97
Rot. Bonds2

About piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (PubChem CID 22912973) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
PubChem CID22912973
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Namepiperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC(C)c1noc(-c2ncn3c2CN(C(=O)N2CCCCC2)c2ccccc2-3)n1
InChIInChI=1S/C21H24N6O2/c1-14(2)19-23-20(29-24-19)18-17-12-26(21(28)25-10-6-3-7-11-25)15-8-4-5-9-16(15)27(17)13-22-18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3
InChIKeyNNHBJBRRYZRQNK-UHFFFAOYSA-N
XLogP3.97
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (CID 22912973) is piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is CC(C)c1noc(-c2ncn3c2CN(C(=O)N2CCCCC2)c2ccccc2-3)n1.
What is the InChIKey of piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The InChIKey is NNHBJBRRYZRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(2)19-23-20(29-24-19)18-17-12-26(21(28)25-10-6-3-7-11-25)15-8-4-5-9-16(15)27(17)13-22-18/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3.
What are the key properties of piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is sourced from PubChem (CID 22912973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).