7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline

C20H21N3O3 — CID 171979693

IUPAC7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline
SMILESCOc1ccc(C2Nc3n[nH]c(C)c3-c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H21N3O3/c1-11-18-14-9-16(25-3)17(26-4)10-15(14)19(21-20(18)23-22-11)12-5-7-13(24-2)8-6-12/h5-10,19H,1-4H3,(H2,21,22,23)
InChIKeyCGABNLXSYQRBPE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.93
Rot. Bonds4

About 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline

7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline (PubChem CID 171979693) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline
PubChem CID171979693
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline
SMILESCOc1ccc(C2Nc3n[nH]c(C)c3-c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H21N3O3/c1-11-18-14-9-16(25-3)17(26-4)10-15(14)19(21-20(18)23-22-11)12-5-7-13(24-2)8-6-12/h5-10,19H,1-4H3,(H2,21,22,23)
InChIKeyCGABNLXSYQRBPE-UHFFFAOYSA-N
XLogP3.93
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline?
The IUPAC name of 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline (CID 171979693) is 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline is COc1ccc(C2Nc3n[nH]c(C)c3-c3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline?
The InChIKey is CGABNLXSYQRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-11-18-14-9-16(25-3)17(26-4)10-15(14)19(21-20(18)23-22-11)12-5-7-13(24-2)8-6-12/h5-10,19H,1-4H3,(H2,21,22,23).
What are the key properties of 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline?
7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline has a molecular weight of 351.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-(4-methoxyphenyl)-1-methyl-4,5-dihydro-2H-pyrazolo[3,4-c]isoquinoline is sourced from PubChem (CID 171979693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).