60518351 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 51 52 53 54 55 56 57 58 59 60 61 8 8 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 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 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 7 7 7 8 9 9 10 10 11 12 12 12 12 13 13 14 14 14 15 15 16 16 17 17 18 18 19 19 21 21 22 23 24 25 25 25 26 26 27 28 28 29 29 29 30 31 32 33 33 33 34 34 34 15 26 20 27 34 32 8 11 17 8 9 16 20 48 13 10 11 18 19 37 14 15 35 36 21 25 20 38 39 40 41 22 23 24 42 22 43 23 44 24 45 46 47 49 50 51 52 27 28 30 31 53 30 31 32 54 55 33 56 57 58 59 60 61 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 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 49 50 51 52 53 54 55 56 57 58 59 60 61 12.7619 9.2619 13.7619 17.2619 3.732 4.6783 9.2619 3.732 5.2619 6.2619 4.6783 11.2619 2.866 10.7619 12.2619 8.2619 2.866 6.7619 6.7619 9.7619 2 7.7619 7.7619 2 2.866 13.7619 14.2619 14.2619 15.7619 15.2619 15.2619 16.7619 17.2619 14.2619 11.3695 10.6793 4.8709 10.6542 11.3445 12.1542 12.8445 2.866 6.4519 6.4519 1.4631 8.0719 8.0719 9.5719 1.4631 2.246 2.866 3.486 13.9519 15.5719 15.5719 16.7249 17.5719 17.7988 14.7988 14.5719 13.7249 1 0.134 2.732 1.866 -1.0981 -2.4028 -1.5981 -2.0981 -1.5981 -1.5981 -0.7933 0.134 -2.5981 -0.7321 0.134 -1.5981 -0.5981 -0.7321 -2.4641 -0.7321 -2.0981 -0.7321 -2.4641 -1.0981 -3.5981 1 1.866 0.134 1 1.866 0.134 1 0.134 3.5981 0.7446 0.346 -0.204 -1.3426 -0.9441 -0.4766 -0.0781 0.0219 -0.1951 -3.001 -2.4081 -0.1951 -3.001 -2.135 -0.7881 -3.5981 -4.2181 -3.5981 -0.403 2.403 -0.403 -0.176 -0.403 0.444 3.2881 4.135 3.9081 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 5 6 6 8 9 10 10 13 16 16 17 18 19 21 26 26 27 28 29 29 8 11 17 8 9 13 11 18 19 21 22 23 24 22 23 24 27 28 30 31 30 31 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 681 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001600000003C608000000000005801F400001E00100000000C0CE19F063FF69FCC1C00A803B777740082882D3532A009D8213EFCD88D6EF2C4BD9B96392AECD413CAE9A7BACCB0CE28000100000040005000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-acetyl-2-methoxy-phenoxy)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(8-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]butanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-acetyl-2-methoxyphenoxy)-<I>N</I>-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-acetyl-2-methoxyphenoxy)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-ethanoyl-2-methoxy-phenoxy)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-(4-acetyl-2-methoxy-phenoxy)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butyramide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C27H27N3O4/c1-18-6-4-14-30-17-23(29-27(18)30)20-8-11-22(12-9-20)28-26(32)7-5-15-34-24-13-10-21(19(2)31)16-25(24)33-3/h4,6,8-14,16-17H,5,7,15H2,1-3H3,(H,28,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SDWPSJXPXKWWPV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.20015635 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C27H27N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CCCOC4=C(C=C(C=C4)C(=O)C)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)NC(=O)CCCOC4=C(C=C(C=C4)C(=O)C)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 457.20015635 34 0 0 0 0 0 0 0 1 -1