70296768 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 8 7 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 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 9 9 10 10 11 11 12 12 13 14 14 15 15 16 17 17 17 18 18 19 19 20 20 20 21 21 21 22 23 8 10 15 8 13 6 28 29 23 42 43 7 9 24 8 11 12 14 13 17 16 25 18 20 21 19 23 16 26 27 30 31 32 22 33 22 34 35 36 37 38 39 40 41 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 6 4 7 9 24 3 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 5.232 5.4641 6.4103 5.4641 3.732 4.5981 4.5981 5.4641 3.732 6.4103 3.732 2.866 6.9939 3.732 4.5981 3.732 6.721 2 2.866 2.866 7.9939 2 4.232 4.5981 3.1951 4.5981 3.1951 6.001 5.7742 7.3103 6.9136 6.1317 1.4631 2.866 3.486 2.866 2.246 7.9939 8.6139 7.9939 1.4631 3.112 4.042 -2.3592 2.5069 1.2021 -0.4931 -3.2252 0.0069 1.0069 1.5069 -0.4931 2.8116 1.5069 0.0069 2.0069 -1.4931 3.0069 2.5069 3.7621 -0.4931 -1.9931 1.0069 2.0069 -1.4931 -2.3592 -0.6131 1.1969 3.6269 2.8169 -0.1831 -1.03 3.5695 4.3514 3.9547 -0.1831 -2.6131 1.0069 1.6269 1.0069 1.3869 2.0069 2.6269 -1.8031 -3.2252 -3.7621 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 6 7 7 9 9 10 11 12 14 15 18 19 8 10 15 8 13 4 8 11 12 14 13 16 18 19 16 22 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 443 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001600000003C400000000000005801F000001E00100000000C28C19F043FB09F4C1800A8033777740082802D3512A009D8A13874D88868F2C0DD91942108688002C8C9A71C88C08E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[amino-(2,3-dimethyl-8-imidazo[1,2-a]pyridinyl)methyl]-3-methylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[azanyl-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H20N4O/c1-10-6-4-7-13(17(20)23)15(10)16(19)14-8-5-9-22-12(3)11(2)21-18(14)22/h4-9,16H,19H2,1-3H3,(H2,20,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VOCNROINAGZYTH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.16371127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H20N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.16371127 23 1 0 1 0 0 0 0 1 -1