N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide

C24H24N4O2 — CID 53083337

IUPACN-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N4O2/c1-4-18-7-5-8-19(14-18)28-24(30)20-9-6-12-25-23(20)27(28)15-22(29)26-21-11-10-16(2)13-17(21)3/h5-14H,4,15H2,1-3H3,(H,26,29)
InChIKeyWJJXDZCOZDJFMH-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.01
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 53083337) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID53083337
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C24H24N4O2/c1-4-18-7-5-8-19(14-18)28-24(30)20-9-6-12-25-23(20)27(28)15-22(29)26-21-11-10-16(2)13-17(21)3/h5-14H,4,15H2,1-3H3,(H,26,29)
InChIKeyWJJXDZCOZDJFMH-UHFFFAOYSA-N
XLogP4.01
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083353
N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083463
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 20937816
N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083271
N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083280
N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53007362
N-(2,5-difluorophenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 20937795
methyl 2-[[2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]benzoate
CID 53007349
2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53083403
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-phenylpropyl)acetamide
CID 22424468
N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083444
2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
CID 25238617

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 53083337) is N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is WJJXDZCOZDJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-18-7-5-8-19(14-18)28-24(30)20-9-6-12-25-23(20)27(28)15-22(29)26-21-11-10-16(2)13-17(21)3/h5-14H,4,15H2,1-3H3,(H,26,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 53083337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).