N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

C29H26N4O2 — CID 22575759

IUPACN-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1C
InChIInChI=1S/C29H26N4O2/c1-19-14-15-23(16-20(19)2)30-26(34)18-32-27(35)17-25(22-10-6-4-7-11-22)28-21(3)31-33(29(28)32)24-12-8-5-9-13-24/h4-17H,18H2,1-3H3,(H,30,34)
InChIKeyZMQQGXXIRKEDCU-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.42
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (PubChem CID 22575759) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
PubChem CID22575759
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1C
InChIInChI=1S/C29H26N4O2/c1-19-14-15-23(16-20(19)2)30-26(34)18-32-27(35)17-25(22-10-6-4-7-11-22)28-21(3)31-33(29(28)32)24-12-8-5-9-13-24/h4-17H,18H2,1-3H3,(H,30,34)
InChIKeyZMQQGXXIRKEDCU-UHFFFAOYSA-N
XLogP5.42
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
CID 22575760
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575764
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 20893978
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
N-(5-chloro-2-methylphenyl)-2-[4-methyl-3-(3-methylphenyl)-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20939921
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (CID 22575759) is N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(-c4ccccc4)c32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The InChIKey is ZMQQGXXIRKEDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-19-14-15-23(16-20(19)2)30-26(34)18-32-27(35)17-25(22-10-6-4-7-11-22)28-21(3)31-33(29(28)32)24-12-8-5-9-13-24/h4-17H,18H2,1-3H3,(H,30,34).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 22575759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).