methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate

C13H16N8O3 — CID 156813038

IUPACmethyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate
SMILESCCn1ncc2nc(NC(=O)OC)nc(NCc3noc(C)n3)c21
InChIInChI=1S/C13H16N8O3/c1-4-21-10-8(5-15-21)17-12(19-13(22)23-3)18-11(10)14-6-9-16-7(2)24-20-9/h5H,4,6H2,1-3H3,(H2,14,17,18,19,22)
InChIKeyOMMPZOYPNAUWCB-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.33
Rot. Bonds5

About methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate

methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate (PubChem CID 156813038) has the molecular formula C13H16N8O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate
PubChem CID156813038
Molecular FormulaC13H16N8O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Namemethyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate
SMILESCCn1ncc2nc(NC(=O)OC)nc(NCc3noc(C)n3)c21
InChIInChI=1S/C13H16N8O3/c1-4-21-10-8(5-15-21)17-12(19-13(22)23-3)18-11(10)14-6-9-16-7(2)24-20-9/h5H,4,6H2,1-3H3,(H2,14,17,18,19,22)
InChIKeyOMMPZOYPNAUWCB-UHFFFAOYSA-N
XLogP1.33
TPSA132.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate?
The IUPAC name of methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate (CID 156813038) is methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate.
What is the SMILES notation for methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate?
The canonical SMILES for methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate is CCn1ncc2nc(NC(=O)OC)nc(NCc3noc(C)n3)c21.
What is the InChIKey of methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate?
The InChIKey is OMMPZOYPNAUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O3/c1-4-21-10-8(5-15-21)17-12(19-13(22)23-3)18-11(10)14-6-9-16-7(2)24-20-9/h5H,4,6H2,1-3H3,(H2,14,17,18,19,22).
What are the key properties of methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate?
methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate has a molecular weight of 332.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-ethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 156813038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).