4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

C15H15N3O2 — CID 66600147

IUPAC4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(C)c1=O
InChIInChI=1S/C15H15N3O2/c1-9-6-4-5-7-10(9)12-13(19)11-8-17(2)16-14(11)18(3)15(12)20/h4-8,19H,1-3H3
InChIKeyYBFQOAKSGVPHEO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.95
Rot. Bonds1

About 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one

4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (PubChem CID 66600147) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
PubChem CID66600147
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(O)c2cn(C)nc2n(C)c1=O
InChIInChI=1S/C15H15N3O2/c1-9-6-4-5-7-10(9)12-13(19)11-8-17(2)16-14(11)18(3)15(12)20/h4-8,19H,1-3H3
InChIKeyYBFQOAKSGVPHEO-UHFFFAOYSA-N
XLogP1.95
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one (CID 66600147) is 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is Cc1ccccc1-c1c(O)c2cn(C)nc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is YBFQOAKSGVPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-4-5-7-10(9)12-13(19)11-8-17(2)16-14(11)18(3)15(12)20/h4-8,19H,1-3H3.
What are the key properties of 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 269.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 66600147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).