24819366 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 50 51 52 53 54 55 56 8 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 14 15 15 16 16 17 18 18 19 19 20 20 21 21 21 22 22 23 24 24 24 26 26 27 27 29 29 29 30 30 30 17 25 29 28 30 6 13 15 8 17 39 14 25 28 9 11 31 10 32 33 12 34 35 13 14 13 36 37 38 16 18 19 21 20 22 40 23 24 25 26 41 42 43 23 44 45 46 47 48 27 49 28 50 51 52 53 54 55 56 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 8 5 9 11 31 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 50 51 52 53 54 55 56 3.732 2.866 4.5981 7.2764 5.4641 7.86 3.732 5.4641 4.5981 4.5981 6.3301 5.4641 6.3301 7.2764 7.587 6.9192 4.5981 8.5655 7.2298 4.5981 5.9407 8.8762 8.2083 6.562 3.732 5.4641 5.4641 4.5981 2 5.4641 6.001 4.386 3.9875 3.9875 4.386 5.0656 5.8626 7.469 6.001 8.9796 6.0685 5.334 5.8128 9.4828 8.4009 6.1005 6.1479 7.0234 6.001 6.001 2.31 1.4631 1.69 5.7741 6.001 5.1541 0.5972 2.0972 5.0972 -2.2075 0.5972 -1.4028 3.5972 -0.4028 -0.9028 -1.9028 -0.9028 -2.4028 -1.9028 -0.5981 -3.1581 -3.9024 1.0972 -3.3643 -4.8529 2.0972 -3.6962 -4.3148 -5.0591 -5.5972 2.5972 2.5972 3.5972 4.0972 2.5972 5.5972 -0.0928 -0.3202 -1.0105 -1.7952 -2.4854 -2.8778 -2.8778 -0.0088 0.9072 -2.9028 -3.0895 -3.5683 -4.3028 -4.4427 -5.6484 -5.1831 -6.0586 -6.0113 2.2872 3.9072 3.1341 2.9072 2.0602 5.0602 5.9072 6.1341 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 7 7 8 11 11 15 15 16 18 19 20 20 22 26 27 6 13 14 25 28 5 13 14 16 18 19 22 23 25 26 23 27 28 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 591 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C608000000000005801F000001E00180000000C28C19E063EC492C81400AA0335775400928C2025A2201898A13E6CD80C26FEC4F5DB84B5E866FE11C8E9C798B58A0E80000040001200000000008008240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxy-pyridine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxy-3-pyridinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxypyridine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxypyridine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxy-pyridine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethoxy-nicotinamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H26N4O3/c1-14-7-5-9-19(15(14)2)27-20-10-6-8-18(17(20)13-24-27)25-22(28)16-11-12-21(29-3)26-23(16)30-4/h5,7,9,11-13,18H,6,8,10H2,1-4H3,(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LNDRXVFMZLWFCX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H26N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=C(N=C(C=C4)OC)OC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=C(N=C(C=C4)OC)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 30 1 0 1 0 0 0 0 1 -1