56286606 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 8 7 7 7 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 1 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 8 8 9 9 10 10 11 11 12 13 13 13 14 14 14 15 15 16 17 19 19 20 21 21 22 22 23 24 24 24 17 45 18 12 16 21 11 18 37 9 12 7 13 14 25 8 15 10 26 11 16 17 18 27 28 19 29 30 31 32 33 34 20 35 36 20 22 38 39 23 40 23 24 41 42 43 44 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 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 44 45 7.6279 9.1279 4.5981 7.6279 5.5443 11.6279 10.6279 10.1279 6.1279 9.1279 7.1279 4.5981 12.1279 12.1279 10.1279 5.5443 8.6279 8.6279 3.732 9.1279 3.732 2.866 2.866 2 12.2479 10.4379 7.0202 7.7105 12.6648 12.4379 11.591 11.591 12.4379 12.6648 10.4379 5.7369 7.3179 3.732 8.8179 3.732 2.3291 1.69 1.4631 2.31 7.3179 1.366 -1.232 -0.7321 -0.366 -2.0368 1.366 1.366 0.5 -1.232 0.5 -1.232 -1.732 2.232 0.5 2.232 -0.4273 1.366 -0.366 -2.232 2.232 -0.2321 -1.732 -0.7321 -2.232 1.366 -0.0369 -1.8426 -1.4441 1.922 2.769 2.542 0.19 -0.0369 0.81 2.769 0.162 0.1709 -2.8521 2.769 0.3879 -0.4221 -1.6951 -2.542 -2.769 1.903 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 5 7 7 8 9 10 12 15 17 19 21 22 12 16 21 9 12 8 15 10 16 17 19 20 20 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 442 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 00000371E07B30000000000000000000000000000001600000003C400000000000005801F000001E00100800000D0CC19F043FB69FCC1A00A8033777740082802D3532A009D8A13E7CD8886E76C2DD939471486EE613C8D9A798C8F08EA0000200000800004000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxy-5-isopropyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxy-N-[(7-methyl-2-imidazo[1,2-a]pyridinyl)methyl]-5-propan-2-ylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxy-<I>N</I>-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-propan-2-ylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxy-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-propan-2-ylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxidanyl-5-propan-2-yl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-hydroxy-5-isopropyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H21N3O2/c1-12(2)14-4-5-17(23)16(9-14)19(24)20-10-15-11-22-7-6-13(3)8-18(22)21-15/h4-9,11-12,23H,10H2,1-3H3,(H,20,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OYFYLYLWIFJFED-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.16337692 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H21N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=CC(=C3)C(C)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=NC(=CN2C=C1)CNC(=O)C3=C(C=CC(=C3)C(C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.16337692 24 0 0 0 0 0 0 0 1 -1