5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline

C30H22N2O — CID 90297142

IUPAC5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccccc3)o2)cc1
InChIInChI=1S/C30H22N2O/c1-3-9-21(10-4-1)26-17-18-27(33-26)29-28(22-11-5-2-6-12-22)30-24-14-8-7-13-23(24)19-25(20-15-16-20)32(30)31-29/h1-14,17-20H,15-16H2
InChIKeyGIICYXFBALMEBI-UHFFFAOYSA-N
MW426.52 g/mol
LogP7.96
Rot. Bonds4

About 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline

5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297142) has the molecular formula C30H22N2O and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297142
Molecular FormulaC30H22N2O
Molecular Weight426.52 g/mol
Exact Mass426.17
IUPAC Name5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2ccc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccccc3)o2)cc1
InChIInChI=1S/C30H22N2O/c1-3-9-21(10-4-1)26-17-18-27(33-26)29-28(22-11-5-2-6-12-22)30-24-14-8-7-13-23(24)19-25(20-15-16-20)32(30)31-29/h1-14,17-20H,15-16H2
InChIKeyGIICYXFBALMEBI-UHFFFAOYSA-N
XLogP7.96
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline (CID 90297142) is 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline is c1ccc(-c2ccc(-c3nn4c(C5CC5)cc5ccccc5c4c3-c3ccccc3)o2)cc1.
What is the InChIKey of 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is GIICYXFBALMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O/c1-3-9-21(10-4-1)26-17-18-27(33-26)29-28(22-11-5-2-6-12-22)30-24-14-8-7-13-23(24)19-25(20-15-16-20)32(30)31-29/h1-14,17-20H,15-16H2.
What are the key properties of 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 426.52 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).