(5-(4,6-Dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)methanone, 99% （cis）

cas: 1293281-49-8 — see every product listed under this CAS number, including other names

(5-(4,6-Dimethylpyrimidin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)methanone, 99% （cis） (CAS 1293281-49-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 100mg, 250mg, 1g. Offered by: Chemat, BLDpharm.

• 2D
• 3D

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone (CAS 1293281-49-8) is a chemical compound with the molecular formula C21H22FN7O and a molecular weight of 407.4 g/mol. IUPAC name: [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone. InChIKey: SQOCEMCKYDVLMM-UHFFFAOYSA-N.

Identity

Molecular formula	C21H22FN7O
Molecular weight	407.4 g/mol
IUPAC name	[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
InChIKey	SQOCEMCKYDVLMM-UHFFFAOYSA-N
SMILES	CC1=CC(=NC(=N1)N2CC3CN(CC3C2)C(=O)C4=C(C=CC=C4F)N5N=CC=N5)C

Computed by PubChem (NCBI)

Synonyms: Seltorexant (USAN/INN), Seltorexant [USAN], orb1309112, orb3033067, SQOCEMCKYDVLMM-UHFFFAOYSA-N, [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydro

Isomers (same molecular formula)

(3R)-4-[4-(3,5-dimethyltriazol-4-yl)-6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine C₂₁H₂₂FN₇O

(6R)-15-cyclopropyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one C₂₁H₂₂FN₇O

5-[[5-[4-(4-fluoro-1-methylpiperidin-4-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile C₂₁H₂₂FN₇O