3282696 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 45 9 8 7 7 7 7 6 6 6 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 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 11 11 12 12 13 14 14 14 15 16 16 17 18 18 19 19 20 20 21 21 22 22 24 25 25 26 26 27 27 28 23 13 7 8 11 5 15 24 41 24 27 9 13 10 12 10 14 15 16 29 17 30 18 31 32 33 34 17 35 36 19 20 21 37 22 38 23 39 23 40 25 26 42 28 43 28 44 45 1 2 1 1 1 1 2 1 1 1 2 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 4 -1 5 15 10 34 3 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 45 8.903 4.3211 3.732 4.3211 4.6318 2.9854 4.6783 3.732 5.2619 4.6783 2.866 2.866 4.9889 6.2619 4.9889 2 2 5.9674 6.2781 6.6353 7.2566 7.6138 7.9244 3.9639 4.2746 3.6067 2.3176 2.6282 2.866 2.866 6.2619 6.8819 6.2619 5.5956 1.4631 1.4631 5.864 6.4427 7.4492 8.0279 5.2384 4.8812 3.7993 1.7109 2.2142 -3.9656 -3.885 -1.8855 1.1141 2.0646 2.6027 -2.1902 -0.8855 -1.3855 -0.5808 -2.3855 -0.3855 -3.1408 -1.3855 0.3698 -1.8855 -0.8855 -3.347 -4.2975 -2.6027 -4.5037 -2.8089 -3.7594 2.8089 3.7594 4.5037 3.347 4.2975 -3.0055 0.2345 -2.0055 -1.3855 -0.7655 0.4976 -2.1955 -0.5755 -4.7589 -2.0133 -5.093 -2.3474 2.1924 3.8873 5.093 3.2191 4.7589 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 6 6 7 8 8 9 11 12 16 18 18 19 20 21 22 24 25 26 27 7 8 11 15 24 27 9 10 12 10 16 17 17 19 20 21 22 23 23 25 26 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 563 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA1000000000000000000000000000001600000003C588000000000005801FC00001F00180000000C0CC19E0C3FF0B36E1800A803B67764009284293702201CD821B864D88820F2C095B1842108609802C8C9A71889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(2-pyridylhydrazono)methyl]indolizin-3-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(2-pyridinylhydrazinylidene)methyl]-3-indolizinyl]methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(pyridin-2-ylhydrazinylidene)methyl]indolizin-3-yl]methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (4-fluorophenyl)-[2-methyl-1-[(2-pyridylhydrazono)methyl]indolizin-3-yl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H17FN4O/c1-15-18(14-25-26-20-7-2-4-12-24-20)19-6-3-5-13-27(19)21(15)22(28)16-8-10-17(23)11-9-16/h2-14H,1H3,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SHCZBHXYUXEUQJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.13863934 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H17FN4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=CC=CC2=C1C=NNC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=CC=CC2=C1C=NNC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 58.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 372.13863934 28 0 0 0 1 0 1 0 1 -1