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

C22H19ClN4O2 — CID 53083280

IUPACN-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C)c2Cl)cc1
InChIInChI=1S/C22H19ClN4O2/c1-14-8-10-16(11-9-14)27-22(29)17-6-4-12-24-21(17)26(27)13-19(28)25-18-7-3-5-15(2)20(18)23/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyGCYRKBVNBGLDDT-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.10
Rot. Bonds4

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

N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 53083280) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID53083280
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C)c2Cl)cc1
InChIInChI=1S/C22H19ClN4O2/c1-14-8-10-16(11-9-14)27-22(29)17-6-4-12-24-21(17)26(27)13-19(28)25-18-7-3-5-15(2)20(18)23/h3-12H,13H2,1-2H3,(H,25,28)
InChIKeyGCYRKBVNBGLDDT-UHFFFAOYSA-N
XLogP4.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083271
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
N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083444
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 20937816
N-(2-ethoxyphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083353
N-(3-chloro-2-methylphenyl)-2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 50811413
2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-phenylpropyl)acetamide
CID 22424468
N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083463
N-(2-chloro-3-methylphenyl)propanamide
CID 130161458
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 53083280) is N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1ccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C)c2Cl)cc1.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is GCYRKBVNBGLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-8-10-16(11-9-14)27-22(29)17-6-4-12-24-21(17)26(27)13-19(28)25-18-7-3-5-15(2)20(18)23/h3-12H,13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 53083280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).