1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one

C13H11N3O — CID 1483593

IUPAC1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ccc(-n2[nH]c(=O)c3cccnc32)cc1
InChIInChI=1S/C13H11N3O/c1-9-4-6-10(7-5-9)16-12-11(13(17)15-16)3-2-8-14-12/h2-8H,1H3,(H,15,17)
InChIKeyRVMYCAZASWLQEQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.02
Rot. Bonds1

About 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one

1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 1483593) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID1483593
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESCc1ccc(-n2[nH]c(=O)c3cccnc32)cc1
InChIInChI=1S/C13H11N3O/c1-9-4-6-10(7-5-9)16-12-11(13(17)15-16)3-2-8-14-12/h2-8H,1H3,(H,15,17)
InChIKeyRVMYCAZASWLQEQ-UHFFFAOYSA-N
XLogP2.02
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
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CID 3436932
4-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6461855
2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463281
4,6-dimethyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
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CID 2947675
2-(pyridin-4-ylmethylamino)-N-p-tolylnicotinamide
CID 9944849
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one (CID 1483593) is 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1ccc(-n2[nH]c(=O)c3cccnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is RVMYCAZASWLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-4-6-10(7-5-9)16-12-11(13(17)15-16)3-2-8-14-12/h2-8H,1H3,(H,15,17).
What are the key properties of 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one?
1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 1483593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).