A1IZ9

1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one

Created:	2025-01-28
Last modified:	2025-02-12

Find Related PDB Entry
1 entries where A1IZ9 is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	23

2D diagram of A1IZ9

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)	1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
Formula	C₂₃ H₁₈ F₂ N₆ O
Molecular Weight	432.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1Cc2nc(n(c2C1)c3ccncn3)c4cc(c(F)cn4)c5ccccc5F
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cn3)F)c4ccccc4F)c5ccncn5)C1
Canonical SMILES	CACTVS	3.385	CCC(=O)N1Cc2nc(n(c2C1)c3ccncn3)c4cc(c(F)cn4)c5ccccc5F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cn3)F)c4ccccc4F)c5ccncn5)C1
InChI	InChI	1.06	InChI=1S/C23H18F2N6O/c1-2-22(32)30-11-19-20(12-30)31(21-7-8-26-13-28-21)23(29-19)18-9-15(17(25)10-27-18)14-5-3-4-6-16(14)24/h3-10,13H,2,11-12H2,1H3
InChIKey	InChI	1.06	PGZOHCVGSDIBJR-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.