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

C19H16FN3O3 — CID 135502678

IUPAC4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol
SMILESCOc1ccc2c(-c3ccc(O)c(F)c3)nc3n[nH]c(C)c3c2c1OC
InChIInChI=1S/C19H16FN3O3/c1-9-15-16-11(5-7-14(25-2)18(16)26-3)17(21-19(15)23-22-9)10-4-6-13(24)12(20)8-10/h4-8,24H,1-3H3,(H,21,22,23)
InChIKeyQVVZPGLZHWYGBX-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.95
Rot. Bonds3

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

4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol (PubChem CID 135502678) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol
PubChem CID135502678
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol
SMILESCOc1ccc2c(-c3ccc(O)c(F)c3)nc3n[nH]c(C)c3c2c1OC
InChIInChI=1S/C19H16FN3O3/c1-9-15-16-11(5-7-14(25-2)18(16)26-3)17(21-19(15)23-22-9)10-4-6-13(24)12(20)8-10/h4-8,24H,1-3H3,(H,21,22,23)
InChIKeyQVVZPGLZHWYGBX-UHFFFAOYSA-N
XLogP3.95
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
CID 135436649
2-bromo-4-[8-methoxy-1-methyl-9-[(1-methylpiperidin-4-yl)methoxy]-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135990991
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
6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507976
2-chloro-4-[6-fluoro-9-methoxy-1-methyl-8-(3-morpholin-4-ylpropoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991106
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
4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 135991058
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
2-chloro-4-[6-fluoro-7-methoxy-1-methyl-8-[2-(4-methylpiperazin-1-yl)ethoxy]-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135991018
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
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

Frequently Asked Questions

What is the IUPAC name of 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol?
The IUPAC name of 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol (CID 135502678) is 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol.
What is the SMILES notation for 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol?
The canonical SMILES for 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol is COc1ccc2c(-c3ccc(O)c(F)c3)nc3n[nH]c(C)c3c2c1OC.
What is the InChIKey of 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol?
The InChIKey is QVVZPGLZHWYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-9-15-16-11(5-7-14(25-2)18(16)26-3)17(21-19(15)23-22-9)10-4-6-13(24)12(20)8-10/h4-8,24H,1-3H3,(H,21,22,23).
What are the key properties of 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol?
4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol has a molecular weight of 353.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol is sourced from PubChem (CID 135502678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).