5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole

C20H26N6O — CID 56721540

IUPAC5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(CN3CCC(Cc4noc(C5CC5)n4)CC3)c2n1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)26-19(22-13)17(11-21-26)12-25-7-5-15(6-8-25)10-18-23-20(27-24-18)16-3-4-16/h9,11,15-16H,3-8,10,12H2,1-2H3
InChIKeyFJRQUFMOSIRHLH-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.06
Rot. Bonds5

About 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56721540) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID56721540
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(CN3CCC(Cc4noc(C5CC5)n4)CC3)c2n1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)26-19(22-13)17(11-21-26)12-25-7-5-15(6-8-25)10-18-23-20(27-24-18)16-3-4-16/h9,11,15-16H,3-8,10,12H2,1-2H3
InChIKeyFJRQUFMOSIRHLH-UHFFFAOYSA-N
XLogP3.06
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 56721540) is 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is Cc1cc(C)n2ncc(CN3CCC(Cc4noc(C5CC5)n4)CC3)c2n1.
What is the InChIKey of 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is FJRQUFMOSIRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-9-14(2)26-19(22-13)17(11-21-26)12-25-7-5-15(6-8-25)10-18-23-20(27-24-18)16-3-4-16/h9,11,15-16H,3-8,10,12H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 366.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56721540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).