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

C15H17N5O2 — CID 7694308

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCc1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1
InChIInChI=1S/C15H17N5O2/c1-4-5-10-7-11(21)12-13(18-10)19-20(14(12)22)15-16-8(2)6-9(3)17-15/h6-7H,4-5H2,1-3H3,(H2,18,19,21)
InChIKeyMNCKEJORAPTGCI-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.37
Rot. Bonds3

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

2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (PubChem CID 7694308) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
PubChem CID7694308
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
SMILESCCCc1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1
InChIInChI=1S/C15H17N5O2/c1-4-5-10-7-11(21)12-13(18-10)19-20(14(12)22)15-16-8(2)6-9(3)17-15/h6-7H,4-5H2,1-3H3,(H2,18,19,21)
InChIKeyMNCKEJORAPTGCI-UHFFFAOYSA-N
XLogP1.37
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.37
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-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione (CID 7694308) is 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is CCCc1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
The InChIKey is MNCKEJORAPTGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-4-5-10-7-11(21)12-13(18-10)19-20(14(12)22)15-16-8(2)6-9(3)17-15/h6-7H,4-5H2,1-3H3,(H2,18,19,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione?
2-(4,6-dimethylpyrimidin-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.37, 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-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione is sourced from PubChem (CID 7694308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).