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

C24H22N4O3 — CID 53083463

IUPACN-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C24H22N4O3/c1-3-17-7-4-10-20(13-17)28-24(31)21-11-6-12-25-23(21)27(28)15-22(30)26-19-9-5-8-18(14-19)16(2)29/h4-14H,3,15H2,1-2H3,(H,26,30)
InChIKeyPVKVRCPNAIGFAX-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.59
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 53083463) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
PubChem CID53083463
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
SMILESCCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C24H22N4O3/c1-3-17-7-4-10-20(13-17)28-24(31)21-11-6-12-25-23(21)27(28)15-22(30)26-19-9-5-8-18(14-19)16(2)29/h4-14H,3,15H2,1-2H3,(H,26,30)
InChIKeyPVKVRCPNAIGFAX-UHFFFAOYSA-N
XLogP3.59
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 20937816
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
2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53083403
2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95072007
2-(2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidin-3-yl)-N-(3-ethylphenyl)acetamide
CID 25238617
N-(4-bromo-2-fluorophenyl)-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53007362
N-[(4-chlorophenyl)methyl]-2-[2-(4-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083444
N-(3-ethylphenyl)-2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)acetamide
CID 71858085
N-(3-acetylphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619897
N-(2-chloro-3-methylphenyl)-2-[2-(4-methylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 53083280
N-(3-acetylphenyl)-2-(4-ethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50833996

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 53083463) is N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is CCc1cccc(-n2c(=O)c3cccnc3n2CC(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
The InChIKey is PVKVRCPNAIGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-17-7-4-10-20(13-17)28-24(31)21-11-6-12-25-23(21)27(28)15-22(30)26-19-9-5-8-18(14-19)16(2)29/h4-14H,3,15H2,1-2H3,(H,26,30).
What are the key properties of N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 53083463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).