N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C28H32N4O4 — CID 20944146

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)c32)cc1
InChIInChI=1S/C28H32N4O4/c1-6-20-7-10-22(11-8-20)32-28-27(19(3)30-32)18(2)15-26(34)31(28)17-25(33)29-14-13-21-9-12-23(35-4)16-24(21)36-5/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,29,33)
InChIKeyDTAGBZCKPMXFJM-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.74
Rot. Bonds9

About N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20944146) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20944146
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)c32)cc1
InChIInChI=1S/C28H32N4O4/c1-6-20-7-10-22(11-8-20)32-28-27(19(3)30-32)18(2)15-26(34)31(28)17-25(33)29-14-13-21-9-12-23(35-4)16-24(21)36-5/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,29,33)
InChIKeyDTAGBZCKPMXFJM-UHFFFAOYSA-N
XLogP3.74
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 20924646
4-ethyl-7-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 22575842
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575738
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20944146) is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)c32)cc1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is DTAGBZCKPMXFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-6-20-7-10-22(11-8-20)32-28-27(19(3)30-32)18(2)15-26(34)31(28)17-25(33)29-14-13-21-9-12-23(35-4)16-24(21)36-5/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,29,33).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 488.59 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20944146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).