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

C23H21ClN4O2 — CID 53083444

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN4O2/c1-2-16-7-11-19(12-8-16)28-23(30)20-4-3-13-25-22(20)27(28)15-21(29)26-14-17-5-9-18(24)10-6-17/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyNMAFLUCZVJKCNN-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.72
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 53083444) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID53083444
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN4O2/c1-2-16-7-11-19(12-8-16)28-23(30)20-4-3-13-25-22(20)27(28)15-21(29)26-14-17-5-9-18(24)10-6-17/h3-13H,2,14-15H2,1H3,(H,26,29)
InChIKeyNMAFLUCZVJKCNN-UHFFFAOYSA-N
XLogP3.72
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53007362
2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53083403
N-(2,5-difluorophenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 20937795
N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083280
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
methyl 2-[[2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetyl]amino]benzoate
CID 53007349
N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083463
2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95072007
N-(2,4-dimethylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083337
N-(2-ethoxyphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083353
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17462773

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 53083444) is N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is CCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is NMAFLUCZVJKCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-2-16-7-11-19(12-8-16)28-23(30)20-4-3-13-25-22(20)27(28)15-21(29)26-14-17-5-9-18(24)10-6-17/h3-13H,2,14-15H2,1H3,(H,26,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 420.90 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 53083444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).