5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one

C18H16N4O3 — CID 68953460

IUPAC5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one
SMILESCOc1cc2c(-c3ccc(=O)[nH]c3)nc3[nH]ncc3c2c(C)c1OC
InChIInChI=1S/C18H16N4O3/c1-9-15-11(6-13(24-2)17(9)25-3)16(10-4-5-14(23)19-7-10)21-18-12(15)8-20-22-18/h4-8H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyDGIXOWHIHKREGL-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.79
Rot. Bonds3

About 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one

5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one (PubChem CID 68953460) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one
PubChem CID68953460
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one
SMILESCOc1cc2c(-c3ccc(=O)[nH]c3)nc3[nH]ncc3c2c(C)c1OC
InChIInChI=1S/C18H16N4O3/c1-9-15-11(6-13(24-2)17(9)25-3)16(10-4-5-14(23)19-7-10)21-18-12(15)8-20-22-18/h4-8H,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyDGIXOWHIHKREGL-UHFFFAOYSA-N
XLogP2.79
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

tert-butyl [4-[7-methoxy-9-methyl-8-[(1-methylpiperidin-4-yl)methoxy]-3H-pyrazolo[5,4-c]isoquinolin-5-yl]phenyl] carbonate
CID 68953467
[4-(6,7,8-trimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)phenyl] 2,2,2-trifluoroacetate
CID 68955433
6-chloro-4-methoxy-1H-pyrazolo[5,4-b]pyridine
CID 150003062
5-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 90292651
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one
CID 122358466
5-(4-fluoro-2-methoxyphenyl)-1H-pyridin-2-one
CID 122200254
6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
7,8-dimethoxy-3H-pyrazolo[5,4-c]cinnoline;hydrochloride
CID 90485964
5-(2,5-dichloropyrimidin-4-yl)-1H-pyridin-2-one
CID 172591540
ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one
CID 178106979

Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one (CID 68953460) is 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one is COc1cc2c(-c3ccc(=O)[nH]c3)nc3[nH]ncc3c2c(C)c1OC.
What is the InChIKey of 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one?
The InChIKey is DGIXOWHIHKREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-9-15-11(6-13(24-2)17(9)25-3)16(10-4-5-14(23)19-7-10)21-18-12(15)8-20-22-18/h4-8H,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one?
5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one has a molecular weight of 336.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,8-dimethoxy-9-methyl-3H-pyrazolo[5,4-c]isoquinolin-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 68953460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).