69938743 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 8 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 1 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 5 5 5 6 6 7 7 7 8 9 10 11 11 12 13 13 14 15 15 15 16 16 17 17 18 19 20 20 21 22 22 23 23 24 24 25 25 26 26 27 28 29 29 29 19 27 8 9 11 9 10 8 19 32 12 14 18 27 40 10 14 15 12 30 13 16 17 31 33 34 35 18 36 20 37 21 22 21 38 39 23 24 25 41 26 42 28 43 28 44 29 45 46 47 48 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 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 45 46 47 48 10.0994 2 7.1962 8.1424 8.453 5.4641 3.732 8.1424 7.1962 8.726 6.3301 5.4641 4.5981 6.3301 9.726 4.5981 3.732 3.732 9.4315 2.866 2.866 9.7422 10.7207 9.0744 11.0314 9.385 2.866 10.3635 2.866 6.3301 6.3301 8.039 9.726 10.346 9.726 5.135 3.732 2.3291 2.3291 4.269 11.1348 8.4677 11.638 8.971 10.5561 3.486 2.866 2.246 -0.7828 1.5 -1.5 -2.8047 -0.2447 -2.5 1.5 -1.1953 -2.5 -2 -1 -1.5 -1 -3 -2 0 -1.5 0.5 -0.0385 -1 0 0.912 1.1182 1.6563 2.0687 2.6068 2 2.813 3 -0.38 -3.62 0.2167 -2.62 -2 -1.38 0.31 -2.12 -1.31 0.31 1.81 0.6567 1.5284 2.1966 3.0683 3.4024 3 3.62 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 6 6 8 9 11 13 13 16 17 18 20 22 22 23 24 25 26 8 9 11 9 10 12 14 10 14 12 16 17 18 20 21 21 23 24 25 26 28 28 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 594 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100000000C08C19F043FF09FCC1800A8033777740082802D3512A009D8213874D88868F2C09D91942108689502C8C9A71888808E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(3-acetamidophenyl)-2-methyl-3-imidazo[1,2-a]pyrazinyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[6-(3-acetamidophenyl)-2-methylimidazo[1,2-a]pyrazin-3-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(3-acetamidophenyl)-2-methylimidazo[1,2-a]pyrazin-3-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H19N5O2/c1-14-21(26-22(29)16-7-4-3-5-8-16)27-13-19(23-12-20(27)24-14)17-9-6-10-18(11-17)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MENVOFRCOKZCLO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.15387487 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H19N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=C(N=CC2=N1)C3=CC(=CC=C3)NC(=O)C)NC(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(N2C=C(N=CC2=N1)C3=CC(=CC=C3)NC(=O)C)NC(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 385.15387487 29 0 0 0 0 0 0 0 1 -1