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

C19H15N3O2 — CID 6463999

IUPAC4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-7-13(8-10-15)16-11-12-20-18-17(16)19(23)22(21-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyVUCCFHNDGHNHRO-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.39
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 6463999) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID6463999
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCOc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-7-13(8-10-15)16-11-12-20-18-17(16)19(23)22(21-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21)
InChIKeyVUCCFHNDGHNHRO-UHFFFAOYSA-N
XLogP3.39
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 6463999) is 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is COc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is VUCCFHNDGHNHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-9-7-13(8-10-15)16-11-12-20-18-17(16)19(23)22(21-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,21).
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one?
4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 317.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 6463999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).