68765211 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 8 7 7 7 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 2 2 2 3 3 3 4 4 5 5 5 6 7 8 9 9 10 10 10 10 11 11 11 12 12 12 14 14 15 15 16 17 18 18 19 19 20 20 21 22 22 22 13 7 8 18 5 9 26 6 7 6 23 24 8 19 25 14 15 12 13 27 28 13 16 17 22 29 30 16 31 17 32 33 34 20 35 21 36 21 37 38 39 40 41 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 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 11.2619 3.732 6.7619 4.6783 6.2619 5.2619 3.732 4.6783 7.7619 11.2619 9.7619 12.2619 10.7619 8.2619 8.2619 9.2619 9.2619 2.866 2.866 2 2 12.7619 6.8445 6.1542 4.8709 6.4519 10.6793 11.3695 12.8445 12.1542 7.9519 7.9519 9.5719 9.5719 2.866 2.866 1.4631 1.4631 12.2249 13.0719 13.2988 0.799 1.299 -0.067 -0.0057 0.799 0.799 0.299 1.6038 -0.067 -0.933 -0.067 -0.933 -0.067 0.799 -0.933 0.799 -0.933 1.799 -0.201 1.299 0.299 -1.799 1.0111 1.4096 2.1931 -0.6039 -1.1451 -1.5436 -0.721 -0.3224 1.336 -1.47 1.336 -1.47 2.419 -0.821 1.609 -0.011 -2.109 -2.336 -1.489 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 4 4 6 7 9 9 11 11 14 15 18 19 20 7 8 18 6 7 8 19 14 15 16 17 16 17 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 365 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000001600000003C400000000000005801F000001E00100000000C0CC19F043FF09FCC1800A803B677640082802D3512A009D8A13874D88868F2C0DD91942108689002C8C9A71889809E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)phenyl]butan-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(2-imidazo[1,2-a]pyridinylmethylamino)phenyl]-1-butanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)phenyl]butan-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)phenyl]butan-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)phenyl]butan-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)phenyl]butan-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H19N3O/c1-2-5-17(22)14-7-9-15(10-8-14)19-12-16-13-21-11-4-3-6-18(21)20-16/h3-4,6-11,13,19H,2,5,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QWLQYWUEOMGTBU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.152812238 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H19N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(=O)C1=CC=C(C=C1)NCC2=CN3C=CC=CC3=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC(=O)C1=CC=C(C=C1)NCC2=CN3C=CC=CC3=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 293.152812238 22 0 0 0 0 0 0 0 1 -1