18524029 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 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 2 3 3 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 10 11 11 13 13 13 14 14 14 15 15 16 16 16 17 17 17 19 20 20 21 21 22 22 23 23 24 24 25 18 8 18 44 5 12 20 19 7 9 16 17 8 26 27 11 28 12 29 30 13 14 18 31 12 19 15 32 33 15 34 35 36 37 38 39 40 41 42 43 45 21 22 23 46 24 47 25 48 25 49 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 8 3 7 11 28 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 6.9209 2.134 3.866 5.6783 6.2619 3 3 3.866 3.866 3 4.732 4.732 3.7071 2.2929 3 2 2.5 3 5.6783 5.9889 6.9674 5.3211 7.2781 5.6318 6.6103 2.788 2.3894 4.403 3.4675 4.2646 3.5728 4.1455 4.1455 1.8545 1.8545 3.4384 2.5616 2 1.38 2 1.9631 2.19 3.0369 4.403 5.8709 7.3815 4.7144 7.8848 5.2177 -4.7605 1.8463 1.8463 -0.9584 -0.1537 -0.6537 0.3463 0.8463 -1.1537 3.3463 0.3463 -0.6537 4.0534 4.0534 4.7605 -0.6537 -1.5197 2.3463 0.651 -1.909 -2.1152 -2.6532 -3.0657 -3.6038 -3.81 0.9289 0.2386 1.1563 -1.6286 -1.6286 3.109 3.615 4.4918 4.4918 3.615 5.1989 5.1989 -0.0337 -0.6537 -1.2737 -1.2097 -2.0567 -1.8297 2.1563 1.2404 -1.6537 -2.5254 -3.1936 -4.0652 8 8 8 3 8 8 8 8 8 8 8 8 4 4 5 8 11 11 20 20 21 22 23 24 5 12 19 3 12 19 21 22 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 499 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B210000000000000000000000000060016000000030600000000000005801C000001F00180000000F28C19E0C3EC092C80000AA03357754009204202182001898A13864980820F2C0D1D184A408609E00C8C8071880400F00000000000000008000008008040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4<I>H</I>-indazol-4-yl]cyclobutanecarboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]cyclobutanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H24FN3O/c1-20(2)10-17(23-19(25)13-4-3-5-13)16-12-22-24(18(16)11-20)15-8-6-14(21)7-9-15/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SKRCWORXWKAUJA-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 2021.05.07 341.19034056 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H24FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4CCC4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(CC(C2=C(C1)N(N=C2)C3=CC=C(C=C3)F)NC(=O)C4CCC4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 46.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.19034056 25 1 0 1 0 0 0 0 1 -1