3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C17H20N6O2 — CID 137018680

IUPAC3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(c2nc(-c3cnn4c(C5CCNCC5)cc(=O)[nH]c34)no2)CC1
InChIInChI=1S/C17H20N6O2/c1-17(4-5-17)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-2-6-18-7-3-10/h8-10,18H,2-7H2,1H3,(H,20,24)
InChIKeyDGIURQNLLYSKKD-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.59
Rot. Bonds3

About 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018680) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018680
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(c2nc(-c3cnn4c(C5CCNCC5)cc(=O)[nH]c34)no2)CC1
InChIInChI=1S/C17H20N6O2/c1-17(4-5-17)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-2-6-18-7-3-10/h8-10,18H,2-7H2,1H3,(H,20,24)
InChIKeyDGIURQNLLYSKKD-UHFFFAOYSA-N
XLogP1.59
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018680) is 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1(c2nc(-c3cnn4c(C5CCNCC5)cc(=O)[nH]c34)no2)CC1.
What is the InChIKey of 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DGIURQNLLYSKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-17(4-5-17)16-21-14(22-25-16)11-9-19-23-12(8-13(24)20-15(11)23)10-2-6-18-7-3-10/h8-10,18H,2-7H2,1H3,(H,20,24).
What are the key properties of 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 340.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).