2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C19H17N3O — CID 169421402

IUPAC2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O/c1-22-12-17-16(11-18(23)20-19(17)21-22)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,20,21,23)
InChIKeySPPRHZAXOWTTPU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 169421402) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID169421402
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O/c1-22-12-17-16(11-18(23)20-19(17)21-22)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,20,21,23)
InChIKeySPPRHZAXOWTTPU-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 169421402) is 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is Cn1cc2c(n1)NC(=O)CC2c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SPPRHZAXOWTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-22-12-17-16(11-18(23)20-19(17)21-22)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,20,21,23).
What are the key properties of 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 303.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169421402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).