5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline

C41H26N2O — CID 90297299

IUPAC5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline
SMILESc1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4ccc(-c5cccc6ccccc56)cc4)nn23)c1
InChIInChI=1S/C41H26N2O/c1-2-11-31-25-33(23-18-27(31)9-1)39-40(30-21-19-29(20-22-30)35-16-7-13-28-10-3-5-14-34(28)35)42-43-37(38-17-8-24-44-38)26-32-12-4-6-15-36(32)41(39)43/h1-26H
InChIKeyDSRRGHVVHXKDOI-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.05
Rot. Bonds4

About 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline

5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297299) has the molecular formula C41H26N2O and a molecular weight of 562.67 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297299
Molecular FormulaC41H26N2O
Molecular Weight562.67 g/mol
Exact Mass562.20
IUPAC Name5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline
SMILESc1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4ccc(-c5cccc6ccccc56)cc4)nn23)c1
InChIInChI=1S/C41H26N2O/c1-2-11-31-25-33(23-18-27(31)9-1)39-40(30-21-19-29(20-22-30)35-16-7-13-28-10-3-5-14-34(28)35)42-43-37(38-17-8-24-44-38)26-32-12-4-6-15-36(32)41(39)43/h1-26H
InChIKeyDSRRGHVVHXKDOI-UHFFFAOYSA-N
XLogP11.05
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)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-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline (CID 90297299) is 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline is c1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4ccc(-c5cccc6ccccc56)cc4)nn23)c1.
What is the InChIKey of 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is DSRRGHVVHXKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O/c1-2-11-31-25-33(23-18-27(31)9-1)39-40(30-21-19-29(20-22-30)35-16-7-13-28-10-3-5-14-34(28)35)42-43-37(38-17-8-24-44-38)26-32-12-4-6-15-36(32)41(39)43/h1-26H.
What are the key properties of 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline?
5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 562.67 g/mol, XLogP of 11.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).