N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine

C36H25F2N5 — CID 71181354

IUPACN-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1cn2cc(F)c3ccccc3c2n1)c1cn2cc(F)c3ccccc3c2n1
InChIInChI=1S/C36H25F2N5/c1-22-16-25(24-10-4-3-5-11-24)17-23(2)34(22)43(32-20-41-18-30(37)26-12-6-8-14-28(26)35(41)39-32)33-21-42-19-31(38)27-13-7-9-15-29(27)36(42)40-33/h3-21H,1-2H3
InChIKeyGJYOQUHMEDJXBF-UHFFFAOYSA-N
MW565.63 g/mol
LogP9.32
Rot. Bonds4

About N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine

N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 71181354) has the molecular formula C36H25F2N5 and a molecular weight of 565.63 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID71181354
Molecular FormulaC36H25F2N5
Molecular Weight565.63 g/mol
Exact Mass565.21
IUPAC NameN-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1cn2cc(F)c3ccccc3c2n1)c1cn2cc(F)c3ccccc3c2n1
InChIInChI=1S/C36H25F2N5/c1-22-16-25(24-10-4-3-5-11-24)17-23(2)34(22)43(32-20-41-18-30(37)26-12-6-8-14-28(26)35(41)39-32)33-21-42-19-31(38)27-13-7-9-15-29(27)36(42)40-33/h3-21H,1-2H3
InChIKeyGJYOQUHMEDJXBF-UHFFFAOYSA-N
XLogP9.32
TPSA37.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine 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 N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine (CID 71181354) is N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1cn2cc(F)c3ccccc3c2n1)c1cn2cc(F)c3ccccc3c2n1.
What is the InChIKey of N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is GJYOQUHMEDJXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25F2N5/c1-22-16-25(24-10-4-3-5-11-24)17-23(2)34(22)43(32-20-41-18-30(37)26-12-6-8-14-28(26)35(41)39-32)33-21-42-19-31(38)27-13-7-9-15-29(27)36(42)40-33/h3-21H,1-2H3.
What are the key properties of N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine?
N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 565.63 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-phenylphenyl)-6-fluoro-N-(6-fluoroimidazo[2,1-a]isoquinolin-2-yl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 71181354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).