68828228 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 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 15 15 16 17 17 18 18 19 19 19 20 20 21 22 22 23 23 24 25 25 27 28 26 14 17 36 14 27 5 20 46 28 26 48 49 8 9 12 11 29 30 10 13 14 18 19 31 32 15 33 16 34 16 26 35 21 23 25 37 38 39 40 21 22 41 24 28 24 42 43 27 44 45 47 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 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 48 49 6.3301 7.1962 6.3301 10.7404 11.3241 4.5981 4.5981 3.732 5.4641 5.4641 2.866 4.5981 6.3301 6.3301 5.4641 6.3301 8.0622 4.5981 2 9.7942 8.9282 9.7942 8.0622 8.9282 4.5981 5.4641 5.4641 10.7404 4.1306 3.3335 2.4675 3.2646 4.0611 6.8671 6.8671 7.1962 4.0611 2.31 1.4631 1.69 8.9282 7.5252 8.9282 4.0611 5.4641 10.9331 10.9331 4.5981 4.0611 -2.94 1.56 3.06 1.7553 2.56 -2.94 0.06 0.56 0.56 1.56 0.06 -0.94 0.06 2.06 -1.44 -0.94 2.06 2.06 0.56 2.06 1.56 3.06 3.06 3.56 3.06 -2.44 3.56 3.3647 1.035 1.035 -0.4149 -0.4149 -1.25 0.37 -1.25 0.94 1.75 1.0969 0.87 0.0231 0.94 3.37 4.18 3.37 4.18 1.166 3.954 -3.56 -2.63 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 7 7 9 10 10 12 13 15 17 17 18 20 20 22 22 23 25 14 27 5 20 28 9 12 13 14 18 15 16 16 21 23 25 21 22 24 28 24 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 529 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001600000003C608000000000005801FC00001E00180000000C08C19E043FF0F2EB1000AA033777740092842935822019F9213864D88820F2C0DDD184A508689802C8C9A71888C08EC8000200041200009000040008240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1H-indazol-6-ylamino)-3-pyridyl]-3-propyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1H-indazol-6-ylamino)-3-pyridinyl]-3-propylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1<I>H</I>-indazol-6-ylamino)pyridin-3-yl]-3-propylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-3-propylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1H-indazol-6-ylamino)pyridin-3-yl]-3-propyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[2-(1H-indazol-6-ylamino)-3-pyridyl]-3-propyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H21N5O/c1-2-4-14-11-15(21(23)28)7-9-18(14)19-5-3-10-24-22(19)26-17-8-6-16-13-25-27-20(16)12-17/h3,5-13H,2,4H2,1H3,(H2,23,28)(H,24,26)(H,25,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MACZVNUUMOQMQP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.17461031 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H21N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCC1=C(C=CC(=C1)C(=O)N)C2=C(N=CC=C2)NC3=CC4=C(C=C3)C=NN4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCC1=C(C=CC(=C1)C(=O)N)C2=C(N=CC=C2)NC3=CC4=C(C=C3)C=NN4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 371.17461031 28 0 0 0 0 0 0 0 1 -1