3058746 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 17 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 2 3 3 3 4 4 4 5 5 6 6 7 7 8 9 10 10 11 12 12 13 13 13 14 14 14 15 15 16 16 16 17 17 18 19 19 20 20 21 21 21 22 22 23 23 24 11 6 9 12 7 11 14 8 9 7 8 25 26 10 15 19 20 13 17 29 16 27 28 30 31 32 18 33 21 34 35 18 36 37 22 38 23 39 40 41 42 24 43 24 44 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 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 9.2619 5.6103 3.732 4.3211 4.6783 4.6783 4.9889 5.2619 3.732 6.2619 4.6318 2.866 3.9639 3.3426 2.866 4.2746 2 2 6.7619 6.7619 3.6067 7.7619 7.7619 8.2619 5.5359 5.3715 3.417 3.5814 2.866 3.2147 2.7359 3.4704 2.866 4.8215 4.6571 1.4631 1.4631 6.4519 6.4519 4.0682 3.1927 3.1453 8.0719 8.0719 -2.4446 1.2117 -1.9446 0.055 -3.2493 -1.6399 -0.6893 -2.4446 -2.9446 -2.4446 1.0055 -1.4446 1.7498 -0.1513 -3.4446 2.7003 -1.9446 -2.9446 -1.5786 -3.3106 3.4446 -1.5786 -3.3106 -2.4446 -0.9814 -0.2014 2.0418 1.2619 -0.8246 0.4554 -0.2791 -0.7579 -4.0646 2.4083 3.1882 -1.6346 -3.2546 -1.0416 -3.8476 3.8587 3.9061 3.0305 -1.0416 -3.8476 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 5 6 9 10 10 12 15 17 19 20 22 23 6 9 12 8 9 8 15 19 20 17 18 18 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 425 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000400000000000000000000000001600000003C400000000000005801F000001E02000000000C0AC19F243FB09F0C1800A8033777740082802D3117A009D8213876988868F2C1DB91942008688602C8C8271080800E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2-(4-chlorophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-N-methylbutanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-<I>N</I>-methylbutanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methylbutanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-methyl-butyramide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LIFDPEORUVTOCP-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 2021.10.14 341.1294900 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20ClN3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(=O)N(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(=O)N(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.1294900 24 0 0 0 0 0 0 0 1 -1