5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

C24H29N7O2 — CID 53169881

IUPAC5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)CN1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1
InChIInChI=1S/C24H29N7O2/c1-18(2)15-28-8-10-29(11-9-28)17-23-25-22(27-33-23)16-30-12-13-31-21(24(30)32)14-20(26-31)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-17H2,1-2H3
InChIKeyUPDMVDVDMRUJPB-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.37
Rot. Bonds7

About 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one

5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53169881) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID53169881
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)CN1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1
InChIInChI=1S/C24H29N7O2/c1-18(2)15-28-8-10-29(11-9-28)17-23-25-22(27-33-23)16-30-12-13-31-21(24(30)32)14-20(26-31)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-17H2,1-2H3
InChIKeyUPDMVDVDMRUJPB-UHFFFAOYSA-N
XLogP2.37
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one (CID 53169881) is 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is CC(C)CN1CCN(Cc2nc(Cn3ccn4nc(-c5ccccc5)cc4c3=O)no2)CC1.
What is the InChIKey of 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UPDMVDVDMRUJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-18(2)15-28-8-10-29(11-9-28)17-23-25-22(27-33-23)16-30-12-13-31-21(24(30)32)14-20(26-31)19-6-4-3-5-7-19/h3-7,12-14,18H,8-11,15-17H2,1-2H3.
What are the key properties of 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one?
5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 447.54 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53169881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).