2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline

C33H20N2OS — CID 90297298

IUPAC2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4cc5ccccc5s4)nn23)c1
InChIInChI=1S/C33H20N2OS/c1-2-9-22-18-25(16-15-21(22)8-1)31-32(30-20-24-11-4-6-14-29(24)37-30)34-35-27(28-13-7-17-36-28)19-23-10-3-5-12-26(23)33(31)35/h1-20H
InChIKeyQZCONSDBOUFHIZ-UHFFFAOYSA-N
MW492.60 g/mol
LogP9.45
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline

2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297298) has the molecular formula C33H20N2OS and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
PubChem CID90297298
Molecular FormulaC33H20N2OS
Molecular Weight492.60 g/mol
Exact Mass492.13
IUPAC Name2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline
SMILESc1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4cc5ccccc5s4)nn23)c1
InChIInChI=1S/C33H20N2OS/c1-2-9-22-18-25(16-15-21(22)8-1)31-32(30-20-24-11-4-6-14-29(24)37-30)34-35-27(28-13-7-17-36-28)19-23-10-3-5-12-26(23)33(31)35/h1-20H
InChIKeyQZCONSDBOUFHIZ-UHFFFAOYSA-N
XLogP9.45
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline (CID 90297298) is 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline is c1coc(-c2cc3ccccc3c3c(-c4ccc5ccccc5c4)c(-c4cc5ccccc5s4)nn23)c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
The InChIKey is QZCONSDBOUFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2OS/c1-2-9-22-18-25(16-15-21(22)8-1)31-32(30-20-24-11-4-6-14-29(24)37-30)34-35-27(28-13-7-17-36-28)19-23-10-3-5-12-26(23)33(31)35/h1-20H.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline?
2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline has a molecular weight of 492.60 g/mol, XLogP of 9.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-1-naphthalen-2-ylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).