5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline

C30H21FN2O — CID 90297622

IUPAC5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4ccccc4)o3)c(-c3ccccc3)c21
InChIInChI=1S/C30H21FN2O/c31-23-13-14-24-22(17-23)18-25(19-11-12-19)33-30(24)28(21-9-5-2-6-10-21)29(32-33)27-16-15-26(34-27)20-7-3-1-4-8-20/h1-10,13-19H,11-12H2
InChIKeyDVYVLWKPUQXLIM-UHFFFAOYSA-N
MW444.51 g/mol
LogP8.10
Rot. Bonds4

About 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline

5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline (PubChem CID 90297622) has the molecular formula C30H21FN2O and a molecular weight of 444.51 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
PubChem CID90297622
Molecular FormulaC30H21FN2O
Molecular Weight444.51 g/mol
Exact Mass444.16
IUPAC Name5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline
SMILESFc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4ccccc4)o3)c(-c3ccccc3)c21
InChIInChI=1S/C30H21FN2O/c31-23-13-14-24-22(17-23)18-25(19-11-12-19)33-30(24)28(21-9-5-2-6-10-21)29(32-33)27-16-15-26(34-27)20-7-3-1-4-8-20/h1-10,13-19H,11-12H2
InChIKeyDVYVLWKPUQXLIM-UHFFFAOYSA-N
XLogP8.10
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline (CID 90297622) is 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline is Fc1ccc2c(c1)cc(C1CC1)n1nc(-c3ccc(-c4ccccc4)o3)c(-c3ccccc3)c21.
What is the InChIKey of 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is DVYVLWKPUQXLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN2O/c31-23-13-14-24-22(17-23)18-25(19-11-12-19)33-30(24)28(21-9-5-2-6-10-21)29(32-33)27-16-15-26(34-27)20-7-3-1-4-8-20/h1-10,13-19H,11-12H2.
What are the key properties of 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 444.51 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-1-phenyl-2-(5-phenylfuran-2-yl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).