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

C26H23N3O3 — CID 1113680

IUPAC7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C26H23N3O3/c1-16-24-20-14-22(31-3)23(32-4)15-21(20)25(17-9-8-12-19(13-17)30-2)27-26(24)29(28-16)18-10-6-5-7-11-18/h5-15H,1-4H3
InChIKeyZSWKZTDHTNLCBH-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.57
Rot. Bonds5

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

7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 1113680) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID1113680
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C26H23N3O3/c1-16-24-20-14-22(31-3)23(32-4)15-21(20)25(17-9-8-12-19(13-17)30-2)27-26(24)29(28-16)18-10-6-5-7-11-18/h5-15H,1-4H3
InChIKeyZSWKZTDHTNLCBH-UHFFFAOYSA-N
XLogP5.57
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (CID 1113680) is 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is COc1cccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is ZSWKZTDHTNLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-24-20-14-22(31-3)23(32-4)15-21(20)25(17-9-8-12-19(13-17)30-2)27-26(24)29(28-16)18-10-6-5-7-11-18/h5-15H,1-4H3.
What are the key properties of 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 425.49 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-(3-methoxyphenyl)-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 1113680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).