4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol

C19H16BrN3O2 — CID 135991058

IUPAC4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
SMILESCOc1cc2c(c(-c3ccc(O)cc3)nc3n[nH]c(C)c32)c(Br)c1C
InChIInChI=1S/C19H16BrN3O2/c1-9-14(25-3)8-13-15-10(2)22-23-19(15)21-18(16(13)17(9)20)11-4-6-12(24)7-5-11/h4-8,24H,1-3H3,(H,21,22,23)
InChIKeyMSVFMLMRMBGASV-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.87
Rot. Bonds2

About 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol

4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol (PubChem CID 135991058) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol.

Molecular Properties

Compound Name4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
PubChem CID135991058
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
SMILESCOc1cc2c(c(-c3ccc(O)cc3)nc3n[nH]c(C)c32)c(Br)c1C
InChIInChI=1S/C19H16BrN3O2/c1-9-14(25-3)8-13-15-10(2)22-23-19(15)21-18(16(13)17(9)20)11-4-6-12(24)7-5-11/h4-8,24H,1-3H3,(H,21,22,23)
InChIKeyMSVFMLMRMBGASV-UHFFFAOYSA-N
XLogP4.87
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenyl] 2,2,2-trifluoroacetate
CID 66890977
4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
CID 135436649
4-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 135436677
6-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 135638532
4-(8,9-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-fluorophenol
CID 135502678
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-[[5-(4-hydroxyphenyl)-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-1-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 160817714
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
[4-[7-methoxy-1-methyl-8-(piperidin-4-ylmethoxy)-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenyl] 2,2,2-trifluoroacetate
CID 66889560
2-bromo-4-[8-methoxy-1-methyl-9-[(1-methylpiperidin-4-yl)methoxy]-2H-pyrazolo[3,4-c]isoquinolin-5-yl]phenol
CID 135990991
11-(4-methoxyphenyl)-16-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 66562936
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-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The IUPAC name of 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol (CID 135991058) is 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol.
What is the SMILES notation for 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The canonical SMILES for 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol is COc1cc2c(c(-c3ccc(O)cc3)nc3n[nH]c(C)c32)c(Br)c1C.
What is the InChIKey of 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
The InChIKey is MSVFMLMRMBGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-9-14(25-3)8-13-15-10(2)22-23-19(15)21-18(16(13)17(9)20)11-4-6-12(24)7-5-11/h4-8,24H,1-3H3,(H,21,22,23).
What are the key properties of 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol?
4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol has a molecular weight of 398.26 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-8-methoxy-1,7-dimethyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol is sourced from PubChem (CID 135991058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).