58560913 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 8 8 7 7 7 7 7 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 2 3 3 3 4 4 5 5 5 6 6 7 7 7 8 8 9 10 10 11 12 12 14 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 23 23 24 25 27 27 27 14 39 26 9 11 15 8 9 13 18 32 13 15 26 43 44 10 11 12 14 16 28 13 29 17 30 19 31 20 26 21 22 20 33 34 24 35 25 36 24 25 27 37 38 40 41 42 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 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 42 43 44 10.592 12.092 8.0622 9.0084 5.4641 6.3301 13.592 9.592 8.0622 10.592 9.0084 7.1962 6.3301 11.092 7.1962 11.092 12.092 4.5981 12.092 12.592 4.5981 3.732 2.866 3.732 2.866 12.592 2 9.201 7.1962 7.1962 10.782 5.4641 12.402 13.212 5.135 3.732 3.732 2.3291 10.902 1.69 1.4631 2.31 13.902 13.902 0.933 1.799 -1.299 0.0057 0.201 -1.299 0.933 -0.799 -0.299 -0.799 -1.6038 0.201 -0.299 0.067 -1.799 -1.6651 0.067 -0.299 -1.6651 -0.799 -1.299 0.201 -1.299 -1.799 -0.299 0.933 -1.799 -2.1931 0.821 -2.419 -2.202 0.821 -2.202 -0.799 -1.609 0.821 -2.419 0.011 1.47 -1.2621 -2.109 -2.336 1.47 0.3961 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 6 6 8 9 10 10 12 14 16 17 18 18 19 21 22 23 23 9 11 15 8 9 13 15 11 12 14 16 13 17 19 20 21 22 20 24 25 24 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 525 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100800000C0CC19F043FF69FCC1A00A8033777740082802D3532A009D8213C7CD8886EF6C2DDD39475486EF013C8D9A7B8C9E09E08000200000800001000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-[7-(4-methylanilino)-2-imidazo[1,2-c]pyrimidinyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-[7-(4-methylanilino)imidazo[1,2-c]pyrimidin-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[7-[(4-methylphenyl)amino]imidazo[1,2-c]pyrimidin-2-yl]-2-oxidanyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-[7-(p-toluidino)imidazo[1,2-c]pyrimidin-2-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H17N5O2/c1-12-5-7-13(8-6-12)23-17-9-18-24-16(10-25(18)11-22-17)14-3-2-4-15(19(14)26)20(21)27/h2-11,23,26H,1H3,(H2,21,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZZESZQVCNNNYFD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 359.13822480 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H17N5O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 359.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)NC2=CC3=NC(=CN3C=N2)C4=C(C(=CC=C4)C(=O)N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)NC2=CC3=NC(=CN3C=N2)C4=C(C(=CC=C4)C(=O)N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 359.13822480 27 0 0 0 0 0 0 0 1 -1