2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

C26H18N2O — CID 90297272

IUPAC2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cc3ccccc3o2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C26H18N2O/c1-17-25(24-16-20-12-6-8-14-23(20)29-24)27-28-22(18-9-3-2-4-10-18)15-19-11-5-7-13-21(19)26(17)28/h2-16H,1H3
InChIKeyRNDZXHMHNBDLSX-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.88
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297272) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297272
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cc3ccccc3o2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C26H18N2O/c1-17-25(24-16-20-12-6-8-14-23(20)29-24)27-28-22(18-9-3-2-4-10-18)15-19-11-5-7-13-21(19)26(17)28/h2-16H,1H3
InChIKeyRNDZXHMHNBDLSX-UHFFFAOYSA-N
XLogP6.88
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (CID 90297272) is 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is Cc1c(-c2cc3ccccc3o2)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is RNDZXHMHNBDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-17-25(24-16-20-12-6-8-14-23(20)29-24)27-28-22(18-9-3-2-4-10-18)15-19-11-5-7-13-21(19)26(17)28/h2-16H,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 374.44 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).