5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline

C26H23N3O4 — CID 1023805

IUPAC5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
SMILESCOc1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C26H23N3O4/c1-30-19-11-10-16(12-20(19)31-2)24-18-14-22(33-4)21(32-3)13-17(18)23-25(28-29-26(23)27-24)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,27,28,29)
InChIKeyNPJRTCIQPHJBAX-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.48
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline

5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline (PubChem CID 1023805) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
PubChem CID1023805
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
SMILESCOc1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C26H23N3O4/c1-30-19-11-10-16(12-20(19)31-2)24-18-14-22(33-4)21(32-3)13-17(18)23-25(28-29-26(23)27-24)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,27,28,29)
InChIKeyNPJRTCIQPHJBAX-UHFFFAOYSA-N
XLogP5.48
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-(4-fluorophenyl)-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinoline
CID 11429874
4-(1-benzyl-7,8-dimethoxy-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 135436677
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
4-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-6-carboxamide
CID 6625236
4-(7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]isoquinolin-5-yl)-2-ethoxyphenol
CID 135436649
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559
6-(3,4-dimethoxyphenyl)-3-phenyl-N-(2-phenylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 15988341
6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 22426194
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 59836112
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline (CID 1023805) is 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline is COc1ccc(-c2nc3n[nH]c(-c4ccccc4)c3c3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline?
The InChIKey is NPJRTCIQPHJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-30-19-11-10-16(12-20(19)31-2)24-18-14-22(33-4)21(32-3)13-17(18)23-25(28-29-26(23)27-24)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,27,28,29).
What are the key properties of 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline?
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline has a molecular weight of 441.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline is sourced from PubChem (CID 1023805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).