N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C20H16N4O2 — CID 135442636

IUPACN-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C20H16N4O2/c1-13-16-12-17(21-19(25)14-8-4-2-5-9-14)20(26)22-18(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,25)(H,22,26)
InChIKeySGPMJFZQAFIQHS-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.27
Rot. Bonds3

About N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 135442636) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID135442636
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C20H16N4O2/c1-13-16-12-17(21-19(25)14-8-4-2-5-9-14)20(26)22-18(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,25)(H,22,26)
InChIKeySGPMJFZQAFIQHS-UHFFFAOYSA-N
XLogP3.27
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 135442636) is N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(NC(=O)c3ccccc3)cc12.
What is the InChIKey of N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is SGPMJFZQAFIQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-16-12-17(21-19(25)14-8-4-2-5-9-14)20(26)22-18(16)24(23-13)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 135442636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).