9076354 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 16 8 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 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 4 4 5 6 6 7 7 7 8 8 8 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 15 15 16 17 17 18 19 19 20 21 22 23 23 24 25 25 25 26 26 27 27 28 28 29 2 3 6 15 16 25 21 10 11 18 21 43 9 24 48 22 12 30 31 13 32 33 14 34 35 14 36 37 38 39 16 17 19 18 40 20 20 41 42 22 23 24 26 27 44 45 46 28 47 29 49 29 50 51 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 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 48 49 50 51 8.5458 8.752 8.3396 7.2101 4.3211 9.5243 5.9674 4.6783 5.2619 10.1921 9.8349 11.1706 10.8134 11.4813 7.5673 6.8994 7.2566 6.2781 5.9209 5.6103 4.9889 4.6783 3.732 3.732 6.5422 2.866 2.866 2 2 9.6658 10.4234 9.8144 9.2211 11.1912 11.7844 11.3398 10.5822 12.0282 11.8638 7.6707 5.5069 5.0036 6.3815 7.0037 6.1282 6.0808 2.866 4.8709 2.866 1.4631 1.4631 1.718 0.7395 2.6966 3.2066 -0.0573 1.9243 -0.5954 -3.3616 -2.5569 1.18 2.8748 1.3862 3.081 2.3367 1.5118 2.2561 0.5613 0.3551 2.0499 1.0994 -0.8016 -1.7522 -2.0569 -3.0569 3.951 -1.5569 -3.5569 -2.0569 -3.0569 0.8523 0.6047 3.4944 2.9621 0.7665 1.2988 3.4086 3.6563 2.0447 2.8246 0.0998 2.5114 0.9715 -1.0569 4.365 4.4124 3.5369 -0.9369 -3.951 -4.1769 -1.7469 -3.3669 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 15 15 16 17 18 19 22 23 23 24 26 27 28 9 24 22 16 17 19 18 20 20 23 24 26 27 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 677 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8004000000000000000000000000001600000003C608000000000005801F400001E04184000000C0CC1DE0632C7F2E30402AA0325725070D20C1027220018B93BBE6CD80C66B2C4F5DB94B52C64DC11C8E907BCC8808E00400000200220000080000040044000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1H-indazole-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1H-indazole-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1<I>H</I>-indazole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1H-indazole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-methoxy-3-piperidinosulfonyl-phenyl)-1H-indazole-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MGXPOFVTTBGHSC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.13617637 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H22N4O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)NC(=O)C2=NNC3=CC=CC=C32)S(=O)(=O)N4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C(C=C1)NC(=O)C2=NNC3=CC=CC=C32)S(=O)(=O)N4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 414.13617637 29 0 0 0 0 0 0 0 1 -1