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

C25H26N4O3 — CID 20944116

IUPAC2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(OC)cc4)c32)cc1
InChIInChI=1S/C25H26N4O3/c1-5-18-6-10-20(11-7-18)29-25-24(17(3)27-29)16(2)14-23(31)28(25)15-22(30)26-19-8-12-21(32-4)13-9-19/h6-14H,5,15H2,1-4H3,(H,26,30)
InChIKeyQRIPDMVKFOYNIO-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.01
Rot. Bonds6

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

2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 20944116) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID20944116
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(OC)cc4)c32)cc1
InChIInChI=1S/C25H26N4O3/c1-5-18-6-10-20(11-7-18)29-25-24(17(3)27-29)16(2)14-23(31)28(25)15-22(30)26-19-8-12-21(32-4)13-9-19/h6-14H,5,15H2,1-4H3,(H,26,30)
InChIKeyQRIPDMVKFOYNIO-UHFFFAOYSA-N
XLogP4.01
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944146
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(3-methoxyphenyl)acetamide
CID 22575889
2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 46339049
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(2-methoxyphenyl)acetamide
CID 22575831
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(3-nitrophenyl)acetamide
CID 9147333
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
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
N-(4-acetylphenyl)-3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306760
N-(3,4-dimethylphenyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575759
N-butan-2-yl-2-[4-ethyl-3-methyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 22575886
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide (CID 20944116) is 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide is CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(OC)cc4)c32)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is QRIPDMVKFOYNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-5-18-6-10-20(11-7-18)29-25-24(17(3)27-29)16(2)14-23(31)28(25)15-22(30)26-19-8-12-21(32-4)13-9-19/h6-14H,5,15H2,1-4H3,(H,26,30).
What are the key properties of 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 20944116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).