N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide

C23H22N4O2 — CID 53083271

IUPACN-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H22N4O2/c1-15-7-10-18(11-8-15)27-23(29)19-5-4-12-24-22(19)26(27)14-21(28)25-20-13-16(2)6-9-17(20)3/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyYFTMDVYJJGLOCS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.75
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 53083271) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID53083271
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C23H22N4O2/c1-15-7-10-18(11-8-15)27-23(29)19-5-4-12-24-22(19)26(27)14-21(28)25-20-13-16(2)6-9-17(20)3/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyYFTMDVYJJGLOCS-UHFFFAOYSA-N
XLogP3.75
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083280
N-(2,5-difluorophenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 20937795
N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083337
methyl 2-[[2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]benzoate
CID 53007349
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 20937816
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-phenylpropyl)acetamide
CID 22424468
N-(2-ethoxyphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083353
N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083444
N-(2,5-dimethylphenyl)-2-(7-ethoxy-5-oxobenzo[b][1,8]naphthyridin-10-yl)acetamide
CID 20921968
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
N-(2,5-dimethylphenyl)-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337877
N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083463

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 53083271) is N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is YFTMDVYJJGLOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-7-10-18(11-8-15)27-23(29)19-5-4-12-24-22(19)26(27)14-21(28)25-20-13-16(2)6-9-17(20)3/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 53083271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).