5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline

C22H13F3N4 — CID 16734124

IUPAC5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline
SMILESFC(F)(F)c1cccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)c1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)16-4-1-5-17(10-16)29-21-15(12-28-29)9-19(14-3-2-7-26-11-14)20-13-27-8-6-18(20)21/h1-13H
InChIKeyGBPOLZVCPLNOKN-UHFFFAOYSA-N
MW390.37 g/mol
LogP5.65
Rot. Bonds2

About 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline

5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline (PubChem CID 16734124) has the molecular formula C22H13F3N4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline
PubChem CID16734124
Molecular FormulaC22H13F3N4
Molecular Weight390.37 g/mol
Exact Mass390.11
IUPAC Name5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline
SMILESFC(F)(F)c1cccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)c1
InChIInChI=1S/C22H13F3N4/c23-22(24,25)16-4-1-5-17(10-16)29-21-15(12-28-29)9-19(14-3-2-7-26-11-14)20-13-27-8-6-18(20)21/h1-13H
InChIKeyGBPOLZVCPLNOKN-UHFFFAOYSA-N
XLogP5.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]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-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline?
The IUPAC name of 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline (CID 16734124) is 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline is FC(F)(F)c1cccc(-n2ncc3cc(-c4cccnc4)c4cnccc4c32)c1.
What is the InChIKey of 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline?
The InChIKey is GBPOLZVCPLNOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4/c23-22(24,25)16-4-1-5-17(10-16)29-21-15(12-28-29)9-19(14-3-2-7-26-11-14)20-13-27-8-6-18(20)21/h1-13H.
What are the key properties of 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline?
5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline has a molecular weight of 390.37 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16734124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).