8375596 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 46 47 48 49 50 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 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 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 23 25 25 26 26 27 28 28 28 29 29 29 13 7 8 11 4 15 24 43 24 25 24 26 9 13 10 12 10 14 15 16 30 17 31 18 32 33 34 35 17 36 37 19 20 21 38 22 39 23 40 23 41 42 27 28 27 29 44 45 46 47 48 49 50 2 1 1 1 1 2 1 1 1 2 2 1 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 1 1 1 2 1 1 1 1 1 1 1 1 3 -1 4 15 35 10 2 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 46 47 48 49 50 6.2712 5.6822 6.2712 5.2927 4.9355 3.6464 6.6284 5.6822 7.212 6.6284 4.8161 4.8161 6.939 8.212 6.939 3.9501 3.9501 7.9176 8.2282 8.5854 9.2067 9.5639 9.8746 4.6249 4.2677 2.9785 3.2892 4.5783 2 4.8161 4.8161 8.212 8.832 8.212 7.5457 3.4132 3.4132 7.8142 8.3928 9.3993 9.978 10.4812 5.1001 2.8751 5.1677 4.771 3.989 1.8721 1.3933 2.1279 -3.7819 -1.7824 1.2172 1.011 2.7058 1.549 -2.0871 -0.7824 -1.2824 -0.4777 -2.2824 -0.2824 -3.0376 -1.2824 0.4729 -1.7824 -0.7824 -3.2439 -4.1944 -2.4996 -4.4006 -2.7058 -3.6563 1.7552 3.4501 2.2933 3.2439 4.4006 2.0871 -2.9024 0.3376 -1.9024 -1.2824 -0.6624 0.6007 -2.0924 -0.4724 -4.6558 -1.9102 -4.9899 -2.2443 -3.7842 0.4216 3.7053 4.208 4.9899 4.5932 2.6938 1.9593 1.4804 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 5 5 6 6 7 8 8 9 11 12 16 18 18 19 20 21 22 25 26 7 8 11 24 25 24 26 9 10 12 10 16 17 17 19 20 21 22 23 23 27 27 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 580 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 00000371E07BA0000000000000000000000000000001600000003C588000000000005801FC00001E00180000000C0CC19E043FD0B76E1800A803B47764009280293702A00DD821B864D88828F2C0DDF1842508688802C8C9A71889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methyl-indolizin-3-yl]-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(Z)-[(4,6-dimethyl-2-pyrimidinyl)hydrazinylidene]methyl]-2-methyl-3-indolizinyl]-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(<I>Z</I>)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylindolizin-3-yl]-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylindolizin-3-yl]-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-indolizin-3-yl]-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methyl-indolizin-3-yl]-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21N5O/c1-15-13-16(2)26-23(25-15)27-24-14-19-17(3)21(28-12-8-7-11-20(19)28)22(29)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,25,26,27)/b24-14- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RQZKIBMHKYPQLH-OYKKKHCWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.17461031 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC(=N1)NN=CC2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=CC=C4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC(=N1)N/N=C\C2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=CC=C4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.17461031 29 0 0 0 1 1 0 0 1 -1