3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C26H20N4O3 — CID 135853402

IUPAC3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c12
InChIInChI=1S/C26H20N4O3/c1-17-23-24(31)22(16-27-25(23)30(29-17)19-8-4-2-5-9-19)26(32)28-18-12-14-21(15-13-18)33-20-10-6-3-7-11-20/h2-16H,1H3,(H,27,31)(H,28,32)
InChIKeyHRGYGJFWABKOTF-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.07
Rot. Bonds5

About 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 135853402) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID135853402
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c12
InChIInChI=1S/C26H20N4O3/c1-17-23-24(31)22(16-27-25(23)30(29-17)19-8-4-2-5-9-19)26(32)28-18-12-14-21(15-13-18)33-20-10-6-3-7-11-20/h2-16H,1H3,(H,27,31)(H,28,32)
InChIKeyHRGYGJFWABKOTF-UHFFFAOYSA-N
XLogP5.07
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 135853402) is 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c12.
What is the InChIKey of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HRGYGJFWABKOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-17-23-24(31)22(16-27-25(23)30(29-17)19-8-4-2-5-9-19)26(32)28-18-12-14-21(15-13-18)33-20-10-6-3-7-11-20/h2-16H,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(4-phenoxyphenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135853402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).