7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline

C26H23N3O2 — CID 1365794

IUPAC7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3ccc(C)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O2/c1-16-10-12-18(13-11-16)25-21-15-23(31-4)22(30-3)14-20(21)24-17(2)28-29(26(24)27-25)19-8-6-5-7-9-19/h5-15H,1-4H3
InChIKeyHOGQZKKOTNSMDO-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.87
Rot. Bonds4

About 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline

7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 1365794) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID1365794
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(-c3ccc(C)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C26H23N3O2/c1-16-10-12-18(13-11-16)25-21-15-23(31-4)22(30-3)14-20(21)24-17(2)28-29(26(24)27-25)19-8-6-5-7-9-19/h5-15H,1-4H3
InChIKeyHOGQZKKOTNSMDO-UHFFFAOYSA-N
XLogP5.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline (CID 1365794) is 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline is COc1cc2c(-c3ccc(C)cc3)nc3c(c(C)nn3-c3ccccc3)c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is HOGQZKKOTNSMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-10-12-18(13-11-16)25-21-15-23(31-4)22(30-3)14-20(21)24-17(2)28-29(26(24)27-25)19-8-6-5-7-9-19/h5-15H,1-4H3.
What are the key properties of 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline?
7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 409.49 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-methyl-5-(4-methylphenyl)-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 1365794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).