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

C29H26N4O2 — CID 22575760

IUPAC2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C29H26N4O2/c1-20(22-12-6-3-7-13-22)30-26(34)19-32-27(35)18-25(23-14-8-4-9-15-23)28-21(2)31-33(29(28)32)24-16-10-5-11-17-24/h3-18,20H,19H2,1-2H3,(H,30,34)
InChIKeyZBQQPQIWJBZRTD-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.04
Rot. Bonds6

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

2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide (PubChem CID 22575760) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
PubChem CID22575760
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C29H26N4O2/c1-20(22-12-6-3-7-13-22)30-26(34)19-32-27(35)18-25(23-14-8-4-9-15-23)28-21(2)31-33(29(28)32)24-16-10-5-11-17-24/h3-18,20H,19H2,1-2H3,(H,30,34)
InChIKeyZBQQPQIWJBZRTD-UHFFFAOYSA-N
XLogP5.04
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575759
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
2-(6-oxo-5-phenylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 166429061
N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 22575886
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 95185360
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(1-phenylethyl)acetamide
CID 50799077
2-(3-methyl-2-oxoquinolin-1-yl)-N-(1-phenylethyl)acetamide
CID 110680331
N-(2,6-diethylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306737
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide (CID 22575760) is 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide is Cc1nn(-c2ccccc2)c2c1c(-c1ccccc1)cc(=O)n2CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is ZBQQPQIWJBZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-20(22-12-6-3-7-13-22)30-26(34)19-32-27(35)18-25(23-14-8-4-9-15-23)28-21(2)31-33(29(28)32)24-16-10-5-11-17-24/h3-18,20H,19H2,1-2H3,(H,30,34).
What are the key properties of 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide?
2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 462.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22575760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).