2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one

C15H19N7O — CID 126947539

IUPAC2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4nn(C)cc4c(=O)n3C)C2)c1
InChIInChI=1S/C15H19N7O/c1-10-6-16-22(7-10)11-4-5-21(8-11)15-17-13-12(9-19(2)18-13)14(23)20(15)3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyHZXFOYJEYFIZAI-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.62
Rot. Bonds2

About 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one

2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126947539) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126947539
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1cnn(C2CCN(c3nc4nn(C)cc4c(=O)n3C)C2)c1
InChIInChI=1S/C15H19N7O/c1-10-6-16-22(7-10)11-4-5-21(8-11)15-17-13-12(9-19(2)18-13)14(23)20(15)3/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyHZXFOYJEYFIZAI-UHFFFAOYSA-N
XLogP0.62
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one (CID 126947539) is 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one is Cc1cnn(C2CCN(c3nc4nn(C)cc4c(=O)n3C)C2)c1.
What is the InChIKey of 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HZXFOYJEYFIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-10-6-16-22(7-10)11-4-5-21(8-11)15-17-13-12(9-19(2)18-13)14(23)20(15)3/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one?
2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 313.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126947539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).