5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline

C26H21Cl2N3O2 — CID 2230824

IUPAC5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c3cc(OC)c(OC)cc3c12
InChIInChI=1S/C26H21Cl2N3O2/c1-4-21-24-18-13-22(32-2)23(33-3)14-19(18)25(17-11-10-15(27)12-20(17)28)29-26(24)31(30-21)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyKFCNTKZBEKFXIA-UHFFFAOYSA-N
MW478.38 g/mol
LogP7.13
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline

5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 2230824) has the molecular formula C26H21Cl2N3O2 and a molecular weight of 478.38 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID2230824
Molecular FormulaC26H21Cl2N3O2
Molecular Weight478.38 g/mol
Exact Mass477.10
IUPAC Name5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c3cc(OC)c(OC)cc3c12
InChIInChI=1S/C26H21Cl2N3O2/c1-4-21-24-18-13-22(32-2)23(33-3)14-19(18)25(17-11-10-15(27)12-20(17)28)29-26(24)31(30-21)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3
InChIKeyKFCNTKZBEKFXIA-UHFFFAOYSA-N
XLogP7.13
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.38
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline (CID 2230824) is 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline is CCc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c3cc(OC)c(OC)cc3c12.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is KFCNTKZBEKFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O2/c1-4-21-24-18-13-22(32-2)23(33-3)14-19(18)25(17-11-10-15(27)12-20(17)28)29-26(24)31(30-21)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3.
What are the key properties of 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline?
5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 478.38 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1-ethyl-7,8-dimethoxy-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 2230824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).