1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H19N7O — CID 86774154

IUPAC1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2c1cnn2CCC#N
InChIInChI=1S/C15H19N7O/c1-20(2)15(23)12-5-3-7-21(12)13-11-9-19-22(8-4-6-16)14(11)18-10-17-13/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyWSGUNIPBYMXFDM-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.80
Rot. Bonds4

About 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 86774154) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID86774154
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncnc2c1cnn2CCC#N
InChIInChI=1S/C15H19N7O/c1-20(2)15(23)12-5-3-7-21(12)13-11-9-19-22(8-4-6-16)14(11)18-10-17-13/h9-10,12H,3-5,7-8H2,1-2H3
InChIKeyWSGUNIPBYMXFDM-UHFFFAOYSA-N
XLogP0.80
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 86774154) is 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncnc2c1cnn2CCC#N.
What is the InChIKey of 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is WSGUNIPBYMXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-20(2)15(23)12-5-3-7-21(12)13-11-9-19-22(8-4-6-16)14(11)18-10-17-13/h9-10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanoethyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 86774154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).