70144197 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 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 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 4 5 5 5 6 6 6 7 8 8 8 9 10 11 11 12 12 13 13 14 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 25 25 26 20 9 10 16 7 9 11 20 36 24 43 44 7 12 13 10 11 14 15 17 27 28 29 14 30 15 31 32 33 18 34 19 35 19 37 38 21 22 23 24 39 25 40 26 26 41 42 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 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 11.2619 3.732 4.6783 9.7619 13.7619 6.2619 5.2619 8.2619 3.732 4.6783 9.2619 6.7619 6.7619 7.7619 7.7619 2.866 2.866 2 2 10.7619 11.2619 12.2619 10.7619 12.7619 11.2619 12.2619 4.8709 9.8445 9.1542 6.4519 6.4519 8.0719 8.0719 2.866 2.866 9.4519 1.4631 1.4631 12.5719 10.1419 10.9519 12.5719 14.0719 14.0719 1.232 1.732 0.4273 0.366 -1.366 1.232 1.232 1.232 0.7321 2.0368 1.232 0.366 2.0981 0.366 2.0981 2.232 0.2321 1.732 0.7321 0.366 -0.5 -0.5 -1.366 -1.366 -2.232 -2.232 2.6261 1.4441 1.8426 -0.1709 2.635 -0.1709 2.635 2.8521 -0.3879 -0.1709 2.042 0.4221 0.0369 -1.366 -2.769 -2.769 -1.903 -0.8291 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 3 3 6 6 7 8 8 9 12 13 16 17 18 21 21 22 23 24 25 9 10 16 7 9 12 13 10 14 15 17 14 15 18 19 19 22 23 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 477 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 2 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 00000371E07BA0000000000000000000000000000001600000003C608000000000005801F400001E00100000000C08C19F043DF09FCC1800A8033777740082802D3512A009D8A13874D88868F2C09D91942108689602C8C9A71C88C08E40000040000000008000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-N-[[4-(2-imidazo[1,2-a]pyridinyl)phenyl]methyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-<I>N</I>-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-azanyl-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-amino-N-(4-imidazo[1,2-a]pyridin-2-ylbenzyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H18N4O/c22-18-5-3-4-17(12-18)21(26)23-13-15-7-9-16(10-8-15)19-14-25-11-2-1-6-20(25)24-19/h1-12,14H,13,22H2,(H,23,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IJRZIHGOZHWBQC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.14806121 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H18N4O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 342.14806121 26 0 0 0 0 0 0 0 1 -1