3644637 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 17 8 8 7 7 7 7 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 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 8 9 9 10 10 11 12 12 13 13 14 14 17 17 17 18 18 19 19 20 21 21 23 23 24 25 25 26 26 26 27 27 28 16 15 22 23 9 11 15 15 18 38 20 22 24 28 9 10 29 30 31 32 11 12 13 14 33 16 34 16 17 35 36 37 19 20 21 39 40 22 41 24 25 26 27 42 43 44 45 28 46 47 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 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 45 46 47 2 5.1871 8.0761 5.5443 6.8335 8.4333 10.3438 5.5443 6.1279 4.5981 4.5981 3.732 3.732 2.866 5.855 2.866 2 7.1441 6.4763 8.1226 6.787 7.7654 9.0546 9.3653 9.7225 8.6974 10.701 11.0116 6.0817 5.2933 6.5888 6.5888 3.732 3.732 2.31 1.4631 1.69 7.2475 5.8696 8.5367 6.3729 9.5298 8.236 8.2834 9.1589 11.115 11.6183 2.3323 0.8327 -2.4313 2.5276 1.3708 -0.7364 -3.7942 4.137 3.3323 3.8323 2.8323 4.3323 2.3323 3.8323 1.577 2.8323 4.3323 0.4203 -0.324 0.2141 -1.2745 -1.4807 -2.6375 -3.588 -1.8932 -4.3323 -2.0994 -3.0499 4.4462 4.7039 2.9176 3.747 4.9523 1.7123 4.8692 4.6423 3.7954 1.8323 -0.1961 0.6756 -1.736 -1.3038 -3.9182 -4.7938 -4.7464 -1.6379 -3.1778 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 10 10 11 12 13 14 18 18 19 21 23 23 25 27 20 22 24 28 11 12 13 14 16 16 19 20 21 22 24 25 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 551 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000400000000000000000000000001600000003C588000000000005801F000001E02100000000C0EC19E243FC693C81400A8033467540482882031772008D8203F7E988E66E2C5B39B9F3828ECD613D8E827B090C00E0C000200020300001800040004060000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]indoline-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-2,3-dihydroindole-1-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-5-methyl-<I>N</I>-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloranyl-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]indoline-1-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GIUZEIJUFOPTMR-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 2021.10.14 394.1196536 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H19ClN4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 394.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 67.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 394.1196536 28 0 0 0 0 0 0 0 1 -1