2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione

C17H12N4O4 — CID 135010796

IUPAC2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione
SMILESCOc1nc(N2C(=O)c3ccccc3C2=O)cc2cnn(C(C)=O)c12
InChIInChI=1S/C17H12N4O4/c1-9(22)21-14-10(8-18-21)7-13(19-15(14)25-2)20-16(23)11-5-3-4-6-12(11)17(20)24/h3-8H,1-2H3
InChIKeyPWCGFQWXLBUGHQ-UHFFFAOYSA-N
MW336.31 g/mol
LogP1.90
Rot. Bonds2

About 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione

2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione (PubChem CID 135010796) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione
PubChem CID135010796
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione
SMILESCOc1nc(N2C(=O)c3ccccc3C2=O)cc2cnn(C(C)=O)c12
InChIInChI=1S/C17H12N4O4/c1-9(22)21-14-10(8-18-21)7-13(19-15(14)25-2)20-16(23)11-5-3-4-6-12(11)17(20)24/h3-8H,1-2H3
InChIKeyPWCGFQWXLBUGHQ-UHFFFAOYSA-N
XLogP1.90
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

US10526336, Example 85
CID 121439338
2-[2-(4-{[1,3]Oxazolo[5,4-B]pyridin-2-YL}piperazin-1-YL)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 46270747
2-[6-fluoro-3-[(1S)-1-(6-methoxy-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146591776
2-[6-Fluoro-3-[1-(6-methoxy-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146591778
2-[6,8-difluoro-3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146591834
2-[6,8-Difluoro-3-[1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146591836
2-[6,8-difluoro-3-[(1S)-1-(6-methoxy-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146592071
2-[6,8-Difluoro-3-[1-(6-methoxy-3-pyrazol-1-yl-2-pyridinyl)ethoxy]quinolin-2-yl]isoindole-1,3-dione
CID 146592073
2-[[6-[(1S)-1-[2-(1,3-dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-5-pyrazol-1-yl-2-pyridinyl]oxy]ethyl acetate
CID 146592101
2-[[6-[1-[2-(1,3-Dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxyethyl]-5-pyrazol-1-yl-2-pyridinyl]oxy]ethyl acetate
CID 146592102
methyl (4Z,6Z)-8-[2-(1,3-dioxoisoindol-2-yl)-6-fluoroquinolin-3-yl]oxy-7-methyl-3-methylidene-6-pyrazol-1-ylnona-4,6-dienoate
CID 146638191
2-[3-[(1S)-1-(5-fluoro-3-pyrazol-1-yl-2-pyridinyl)ethoxy]-4-methylquinolin-2-yl]isoindole-1,3-dione
CID 169741927

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione (CID 135010796) is 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione is COc1nc(N2C(=O)c3ccccc3C2=O)cc2cnn(C(C)=O)c12.
What is the InChIKey of 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione?
The InChIKey is PWCGFQWXLBUGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c1-9(22)21-14-10(8-18-21)7-13(19-15(14)25-2)20-16(23)11-5-3-4-6-12(11)17(20)24/h3-8H,1-2H3.
What are the key properties of 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione?
2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione has a molecular weight of 336.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-7-methoxypyrazolo[3,4-c]pyridin-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 135010796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).