58124325 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 9 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 2 3 4 4 4 5 5 5 6 7 7 7 8 8 8 8 9 9 10 10 10 11 12 13 13 13 14 14 14 16 16 16 18 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 26 27 15 17 9 15 30 6 11 16 12 17 43 44 9 13 14 28 17 29 11 12 18 19 15 31 32 33 34 35 36 20 37 38 21 39 22 40 23 24 22 42 41 25 45 26 46 27 47 27 48 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 9 4 8 17 29 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 8.903 4.3211 7.9244 5.9674 4.6783 5.2619 7.5673 5.6103 6.2781 3.732 3.732 4.6783 5.9209 4.6318 4.9889 4.9889 7.2566 2.866 2.866 5.9674 2 2 6.6353 6.2781 7.6138 7.2566 7.9244 6.2169 5.6714 6.3815 6.5102 6.1135 5.3316 4.5039 4.0251 4.7596 4.3751 4.9684 2.866 2.866 1.4631 1.4631 8.1739 7.1532 6.4427 5.864 8.0279 7.4492 -3.3244 1.7552 1.6296 1.2172 -1.549 -0.7443 3.3244 2.912 2.1677 -0.2443 -1.2443 0.0604 3.8625 2.7058 1.011 -2.4996 2.3739 0.2557 -1.7443 -2.7058 -0.2443 -1.2443 -1.9615 -3.6563 -2.1677 -3.8625 -3.1182 3.0398 2.0398 0.7557 3.6699 4.4518 4.0551 3.3124 2.5779 2.0991 -2.5869 -3.1192 0.8757 -2.3643 -1.5543 0.0657 3.4523 3.7859 -1.3722 -4.1178 -1.7062 -4.4518 8 8 8 5 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 9 10 10 10 11 18 19 20 20 21 23 24 25 26 6 11 12 4 11 12 18 19 21 22 23 24 22 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 536 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB10000000000000000000000000000016000000030600000000000005801F400001F00180000000D28C19E0C32C0F2C80000AA032572540092040027820018D8A1B864D80860B2C0D5F194A508609E00C8C9071C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1S)-1-carbamoyl-2-methyl-propyl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]-3-indazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(2<I>S</I>)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(1S)-1-carbamoyl-2-methyl-propyl]-1-(4-fluorobenzyl)indazole-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AKOOIMKXADOPDA-KRWDZBQOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.16485409 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H21FN4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 90 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 368.16485409 27 1 1 0 0 0 0 0 1 -1