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

C21H21N3O4 — CID 135436649

IUPAC4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc3n[nH]c(C)c3c3cc(OC)c(OC)cc23)ccc1O
InChIInChI=1S/C21H21N3O4/c1-5-28-16-8-12(6-7-15(16)25)20-14-10-18(27-4)17(26-3)9-13(14)19-11(2)23-24-21(19)22-20/h6-10,25H,5H2,1-4H3,(H,22,23,24)
InChIKeyFVYOGZLPXWDLLS-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.21
Rot. Bonds5

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

4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol (PubChem CID 135436649) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol.

Molecular Properties

Compound Name4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
PubChem CID135436649
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
SMILESCCOc1cc(-c2nc3n[nH]c(C)c3c3cc(OC)c(OC)cc23)ccc1O
InChIInChI=1S/C21H21N3O4/c1-5-28-16-8-12(6-7-15(16)25)20-14-10-18(27-4)17(26-3)9-13(14)19-11(2)23-24-21(19)22-20/h6-10,25H,5H2,1-4H3,(H,22,23,24)
InChIKeyFVYOGZLPXWDLLS-UHFFFAOYSA-N
XLogP4.21
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[7-methoxy-1-methyl-8-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991075
4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol
CID 135502678
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
2-bromo-4-[8-methoxy-1-methyl-9-[(1-methylpiperidin-4-yl)methoxy]-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135990991
4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 135991058
[4-[7-methoxy-1-methyl-8-(piperidin-4-ylmethoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenyl] 2,2,2-trifluoroacetate
CID 66889560
4-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 135436677
2-chloro-4-(13-methyl-4,8-dioxa-14,15,17-triazatetracyclo[9.7.0.03,9.012,16]octadeca-1,3(9),10,12,15,17-hexaen-18-yl)phenol
CID 135990988
2-chloro-4-[6-fluoro-7-methoxy-1-methyl-8-(2-piperidin-1-ylethoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991099
3-(4-ethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135572896
1-benzyl-5-(4-fluorophenyl)-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinoline
CID 11429874
2-chloro-4-[6-fluoro-9-methoxy-1-methyl-8-(2-piperidin-1-ylethoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991097

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol?
The IUPAC name of 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol (CID 135436649) is 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol.
What is the SMILES notation for 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol?
The canonical SMILES for 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol is CCOc1cc(-c2nc3n[nH]c(C)c3c3cc(OC)c(OC)cc23)ccc1O.
What is the InChIKey of 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol?
The InChIKey is FVYOGZLPXWDLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-5-28-16-8-12(6-7-15(16)25)20-14-10-18(27-4)17(26-3)9-13(14)19-11(2)23-24-21(19)22-20/h6-10,25H,5H2,1-4H3,(H,22,23,24).
What are the key properties of 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol?
4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol has a molecular weight of 379.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol is sourced from PubChem (CID 135436649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).