2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

C16H19N5O2 — CID 7694279

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O
InChIInChI=1S/C16H19N5O2/c1-5-6-11-10(4)19-14-12(13(11)22)15(23)21(20-14)16-17-8(2)7-9(3)18-16/h7H,5-6H2,1-4H3,(H2,19,20,22)
InChIKeyWTBOPVSOQZZDRN-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.67
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 7694279) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID7694279
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O
InChIInChI=1S/C16H19N5O2/c1-5-6-11-10(4)19-14-12(13(11)22)15(23)21(20-14)16-17-8(2)7-9(3)18-16/h7H,5-6H2,1-4H3,(H2,19,20,22)
InChIKeyWTBOPVSOQZZDRN-UHFFFAOYSA-N
XLogP1.67
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 7694279) is 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is CCCc1c(C)[nH]c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is WTBOPVSOQZZDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-5-6-11-10(4)19-14-12(13(11)22)15(23)21(20-14)16-17-8(2)7-9(3)18-16/h7H,5-6H2,1-4H3,(H2,19,20,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-5-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 7694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).