6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

C20H17N3O2 — CID 135472121

IUPAC6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCOc1ccccc1-c1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H17N3O2/c1-13-19-17(24)12-16(15-10-6-7-11-18(15)25-2)21-20(19)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyHTDAMUYAUSWLPJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.70
Rot. Bonds3

About 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135472121) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135472121
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCOc1ccccc1-c1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1
InChIInChI=1S/C20H17N3O2/c1-13-19-17(24)12-16(15-10-6-7-11-18(15)25-2)21-20(19)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24)
InChIKeyHTDAMUYAUSWLPJ-UHFFFAOYSA-N
XLogP3.70
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135472121) is 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is COc1ccccc1-c1cc(=O)c2c(C)nn(-c3ccccc3)c2[nH]1.
What is the InChIKey of 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is HTDAMUYAUSWLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-19-17(24)12-16(15-10-6-7-11-18(15)25-2)21-20(19)23(22-13)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,24).
What are the key properties of 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135472121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).