5892137 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 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 14 14 15 16 16 17 18 20 20 21 21 22 22 23 23 24 25 25 26 26 27 27 28 28 29 7 10 19 11 19 39 13 15 40 16 17 8 11 30 9 31 32 10 33 34 35 36 37 38 13 14 18 17 15 20 22 18 19 21 41 23 42 25 26 24 43 24 44 45 27 46 28 47 29 48 29 49 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 7 2 8 11 30 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 44 45 46 47 48 49 7.5438 8.0247 8.378 7.0864 4.5274 7.0547 7.44 6.4878 6.4839 7.4338 7.7527 5.0274 5.3364 4.0274 3.7183 6.7328 6.3518 5.7123 7.3991 3.3424 6.6498 2.7029 2.3219 2 7.6255 5.9721 7.9235 6.2701 7.2458 8.0527 6.3612 5.8709 5.8675 6.3527 7.1794 7.9695 8.299 8.1363 6.4795 4.5274 5.5139 3.5408 2.5182 1.9088 1.394 8.0456 5.3672 8.5284 5.8499 5.2934 -4.4866 -0.8258 -1.9798 1.8307 0.7064 -3.6754 -3.9807 -4.9807 -5.2934 -2.7255 0.2918 1.2429 0.2918 1.2429 -0.2842 1.4751 -0.4929 -1.0299 -0.4929 2.4297 1.4751 -0.2842 0.7064 2.6489 3.165 3.6035 4.1196 4.3388 -3.5807 -3.3738 -4.0432 -4.9135 -5.5867 -5.8588 -5.6055 -3.0187 -2.2384 -2.1064 2.4507 -1.0803 -1.0803 2.067 -0.7466 0.8377 2.193 3.0291 3.7394 4.5755 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 12 12 12 13 14 14 15 16 20 21 21 22 23 25 26 27 28 13 15 16 17 11 13 14 18 17 15 20 22 18 23 25 26 24 24 27 28 29 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 583 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B31000000000000000000000000000001624000003C608000000000005801FE00001F00100000000C1CE19E0E30C0F2C99400A803257254008280242712200899A1B874D80A60F2C095B1972108649600D8C9879899C29E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-N-(2-oxolanylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-<I>N</I>-(oxolan-2-ylmethyl)-9<I>H</I>-pyrido[3,4-b]indole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(4-fluorophenyl)-N-(tetrahydrofurfuryl)-9H-beta-carboline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20FN3O2/c24-15-9-7-14(8-10-15)21-22-18(17-5-1-2-6-19(17)26-22)12-20(27-21)23(28)25-13-16-4-3-11-29-16/h1-2,5-10,12,16,26H,3-4,11,13H2,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 AXSGJZFDQFXCKM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.15395505 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H20FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(OC1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC=C(C=C5)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CC(OC1)CNC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC=C(C=C5)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 67 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 389.15395505 29 1 0 1 0 0 0 0 1 -1