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

C14H15N5O2 — CID 66495171

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(C)c(C)c3c2=O)n1
InChIInChI=1S/C14H15N5O2/c1-7-5-8(2)16-14(15-7)19-13(21)12-9(3)18(4)11(20)6-10(12)17-19/h5-6,17H,1-4H3
InChIKeyQDZKXBYEFTTWJX-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.73
Rot. Bonds1

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

2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495171) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495171
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1cc(C)nc(-n2[nH]c3cc(=O)n(C)c(C)c3c2=O)n1
InChIInChI=1S/C14H15N5O2/c1-7-5-8(2)16-14(15-7)19-13(21)12-9(3)18(4)11(20)6-10(12)17-19/h5-6,17H,1-4H3
InChIKeyQDZKXBYEFTTWJX-UHFFFAOYSA-N
XLogP0.73
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.73
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)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495171) is 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1cc(C)nc(-n2[nH]c3cc(=O)n(C)c(C)c3c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is QDZKXBYEFTTWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-7-5-8(2)16-14(15-7)19-13(21)12-9(3)18(4)11(20)6-10(12)17-19/h5-6,17H,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 285.31 g/mol, XLogP of 0.73, 1 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)-4,5-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).