2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

C13H13N5O — CID 123280098

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)nc(-n2[nH]c3nccc(C)c3c2=O)n1
InChIInChI=1S/C13H13N5O/c1-7-4-5-14-11-10(7)12(19)18(17-11)13-15-8(2)6-9(3)16-13/h4-6H,1-3H3,(H,14,17)
InChIKeyWHQHOPYXAKCNIL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.43
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one

2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 123280098) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID123280098
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1cc(C)nc(-n2[nH]c3nccc(C)c3c2=O)n1
InChIInChI=1S/C13H13N5O/c1-7-4-5-14-11-10(7)12(19)18(17-11)13-15-8(2)6-9(3)16-13/h4-6H,1-3H3,(H,14,17)
InChIKeyWHQHOPYXAKCNIL-UHFFFAOYSA-N
XLogP1.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
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)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 123280098) is 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is Cc1cc(C)nc(-n2[nH]c3nccc(C)c3c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is WHQHOPYXAKCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-4-5-14-11-10(7)12(19)18(17-11)13-15-8(2)6-9(3)16-13/h4-6H,1-3H3,(H,14,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one?
2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 123280098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).