11325594 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 9 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 7 7 8 8 8 9 9 9 10 10 11 11 13 13 14 14 15 15 16 16 16 17 17 17 18 19 20 21 21 21 22 22 23 23 25 25 26 24 12 8 9 12 6 20 22 6 19 24 26 10 27 28 16 17 29 11 13 12 15 14 30 18 19 18 31 32 33 34 35 36 37 38 20 21 39 40 41 23 24 25 42 26 43 44 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 3.808 10.4212 10.6941 4.9836 6.4617 5.4836 2.4067 10.1105 11.6941 9.1643 9.1643 10.1105 8.2983 7.4323 8.2983 12.1941 12.1941 7.4323 6.5662 5.6527 5.4448 3.989 3.5823 3.4013 2.5878 2 9.8595 10.6479 12.3141 8.2983 8.2983 11.6572 12.5041 12.7311 12.7311 12.5041 11.6572 6.8953 6.0512 5.3159 4.8383 3.9467 2.3356 1.3834 -2.3548 2.3548 0.5996 -0.7368 -1.3949 -1.6028 -1.3368 -0.2051 0.5996 0.0996 1.0996 1.4043 -0.4004 0.0996 1.5996 -0.2664 1.4656 1.0996 -0.4004 0.0063 0.9845 -0.6323 0.2813 -1.4413 0.3858 -0.4232 -0.772 -0.5144 0.5996 -1.0204 2.2196 -0.5764 -0.8034 0.0436 1.1556 2.0026 1.7756 1.4096 1.1134 1.5909 0.8556 0.7829 0.9522 -0.3584 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 10 10 11 13 14 15 19 22 22 23 25 6 20 6 19 24 26 11 13 15 14 18 18 20 23 24 25 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 532 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA100000000000000000000000000000162C000003C400000000000005801F000001F00080000000C28C19E0C3EC093081000AA033577540082842435122018D8213874D80860F2C09591942108608600C8C9871C88C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-2-isopropyl-isoindolin-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoro-3-pyridinyl)-5-methyl-4-triazolyl]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-2-propan-2-yl-3<I>H</I>-isoindol-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoranylpyridin-3-yl)-5-methyl-1,2,3-triazol-4-yl]-2-propan-2-yl-3H-isoindol-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-[1-(2-fluoro-3-pyridyl)-5-methyl-triazol-4-yl]-2-isopropyl-isoindolin-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18FN5O/c1-11(2)24-10-14-9-13(6-7-15(14)19(24)26)17-12(3)25(23-22-17)16-5-4-8-21-18(16)20/h4-9,11H,10H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZUWMBBZBDLJVHD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.14953838 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18FN5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 63.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.14953838 26 0 0 0 0 0 0 0 1 -1