1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C15H21N5O2 — CID 7118691

IUPAC1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCC3)cnc21
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20-13-11(8-17-20)14(22)19(10-16-13)9-12(21)18-6-4-5-7-18/h8,10H,4-7,9H2,1-3H3
InChIKeyOFGNRKWECZIFSY-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.97
Rot. Bonds2

About 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7118691) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7118691
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCC3)cnc21
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20-13-11(8-17-20)14(22)19(10-16-13)9-12(21)18-6-4-5-7-18/h8,10H,4-7,9H2,1-3H3
InChIKeyOFGNRKWECZIFSY-UHFFFAOYSA-N
XLogP0.97
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7118691) is 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCCC3)cnc21.
What is the InChIKey of 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OFGNRKWECZIFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)20-13-11(8-17-20)14(22)19(10-16-13)9-12(21)18-6-4-5-7-18/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 303.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7118691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).