ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate

C16H18N6O4 — CID 137018368

IUPACethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C16H18N6O4/c1-2-25-16(24)13-20-15(26-21-13)10-8-18-22-11(7-12(23)19-14(10)22)9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H,19,23)
InChIKeySLEJDTZIDDZFED-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.72
Rot. Bonds4

About ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 137018368) has the molecular formula C16H18N6O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID137018368
Molecular FormulaC16H18N6O4
Molecular Weight358.36 g/mol
Exact Mass358.14
IUPAC Nameethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1
InChIInChI=1S/C16H18N6O4/c1-2-25-16(24)13-20-15(26-21-13)10-8-18-22-11(7-12(23)19-14(10)22)9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H,19,23)
InChIKeySLEJDTZIDDZFED-UHFFFAOYSA-N
XLogP0.72
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate (CID 137018368) is ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)n1.
What is the InChIKey of ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is SLEJDTZIDDZFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4/c1-2-25-16(24)13-20-15(26-21-13)10-8-18-22-11(7-12(23)19-14(10)22)9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H,19,23).
What are the key properties of ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 358.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 137018368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).