58404643 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 8 8 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 7 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 24 24 25 8 24 26 6 7 8 7 13 26 42 43 10 13 11 12 11 12 14 15 16 27 28 29 20 21 17 30 18 31 19 32 19 33 26 22 34 23 35 25 36 25 37 38 39 40 41 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 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 5.4641 7.8512 6.3301 7.2764 9.4975 7.2764 6.3301 5.4641 4.5981 7.587 5.4641 4.5981 7.86 3.732 6.9192 8.5655 7.2298 8.8762 8.2083 3.732 2.866 2.866 2 4.5981 2 8.519 5.4641 4.0611 8.48 6.3125 8.9796 6.8158 9.4828 4.269 2.866 2.866 1.4631 4.9081 4.0611 4.2881 1.4631 9.6901 9.9116 0.5488 3.8999 -0.9512 -2.2559 3.3618 -0.6464 -1.9512 -0.4512 -1.9512 0.3041 -2.4512 -0.9512 -1.4512 -2.4512 1.0484 0.5103 1.9989 1.4608 2.2051 -3.4512 -1.9512 -3.9512 -2.4512 1.0488 -3.4512 3.1556 -3.0712 -0.6412 -1.4512 0.9205 0.0488 2.4604 1.5887 -3.7612 -1.3312 -4.5712 -2.1412 1.5858 1.3588 0.5119 -3.7612 3.9512 2.9004 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 7 8 9 9 10 10 14 14 15 16 17 18 20 21 22 23 6 7 8 7 13 13 11 12 11 12 15 16 20 21 17 18 19 19 22 23 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 486 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000001600000003C608000000000005801F400001E00100000000C08C19F063FB49F4C1C00A8033777740082882D3532A009D8213E7CD88C6EF2C4BD9B9431286CC013C8E9A798D8E28EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenyl-imidazo[1,2-a]pyridin-3-yl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenyl-3-imidazo[1,2-a]pyridinyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenyl-imidazo[1,2-a]pyridin-3-yl)benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(5-methoxy-7-phenyl-imidazo[1,2-a]pyridin-3-yl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H17N3O2/c1-26-20-12-17(14-5-3-2-4-6-14)11-19-23-13-18(24(19)20)15-7-9-16(10-8-15)21(22)25/h2-13H,1H3,(H2,22,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OINDTGSBIUFSMQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.132076794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H17N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC2=NC=C(N12)C3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC(=CC2=NC=C(N12)C3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 343.132076794 26 0 0 0 0 0 0 0 1 -1