2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C15H17N5O2 — CID 66495172

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C15H17N5O2/c1-5-19-10(4)13-11(7-12(19)21)18-20(14(13)22)15-16-8(2)6-9(3)17-15/h6-7,18H,5H2,1-4H3
InChIKeyCYLIRCPLLKHPPV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.22
Rot. Bonds2

About 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495172) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495172
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C15H17N5O2/c1-5-19-10(4)13-11(7-12(19)21)18-20(14(13)22)15-16-8(2)6-9(3)17-15/h6-7,18H,5H2,1-4H3
InChIKeyCYLIRCPLLKHPPV-UHFFFAOYSA-N
XLogP1.22
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495172) is 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is CYLIRCPLLKHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-5-19-10(4)13-11(7-12(19)21)18-20(14(13)22)15-16-8(2)6-9(3)17-15/h6-7,18H,5H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 299.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).