5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline

C37H24N2O — CID 90297302

IUPAC5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccco4)cc4ccccc4c3c2-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C37H24N2O/c1-2-12-26(13-3-1)36-35(29-17-8-16-27(23-29)31-20-9-15-25-11-4-6-18-30(25)31)37-32-19-7-5-14-28(32)24-33(39(37)38-36)34-21-10-22-40-34/h1-24H
InChIKeyQMWDUXJGIGDIII-UHFFFAOYSA-N
MW512.61 g/mol
LogP9.90
Rot. Bonds4

About 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline

5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297302) has the molecular formula C37H24N2O and a molecular weight of 512.61 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297302
Molecular FormulaC37H24N2O
Molecular Weight512.61 g/mol
Exact Mass512.19
IUPAC Name5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nn3c(-c4ccco4)cc4ccccc4c3c2-c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C37H24N2O/c1-2-12-26(13-3-1)36-35(29-17-8-16-27(23-29)31-20-9-15-25-11-4-6-18-30(25)31)37-32-19-7-5-14-28(32)24-33(39(37)38-36)34-21-10-22-40-34/h1-24H
InChIKeyQMWDUXJGIGDIII-UHFFFAOYSA-N
XLogP9.90
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[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

Related Compounds

CID 134136230
CID 134136230
CID 2458661
CID 2458661
CID 145971414
CID 145971414
CID 625261
CID 625261
CID 1291983
CID 1291983
CID 10685620
CID 10685620
CID 162419160
CID 162419160
CID 90297622
CID 90297622
CID 90297772
CID 90297772
CID 163676636
CID 163676636
CID 10849728
CID 10849728
CID 129799175
CID 129799175

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline (CID 90297302) is 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2nn3c(-c4ccco4)cc4ccccc4c3c2-c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is QMWDUXJGIGDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O/c1-2-12-26(13-3-1)36-35(29-17-8-16-27(23-29)31-20-9-15-25-11-4-6-18-30(25)31)37-32-19-7-5-14-28(32)24-33(39(37)38-36)34-21-10-22-40-34/h1-24H.
What are the key properties of 5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline?
5-(furan-2-yl)-1-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 512.61 g/mol, XLogP of 9.90, 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-(3-naphthalen-1-ylphenyl)-2-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).