59026364 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 57 8 8 8 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 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 5 5 5 6 6 6 7 8 8 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 20 20 21 22 22 23 24 24 25 26 27 27 29 29 29 30 30 31 31 31 32 32 32 13 14 26 29 28 31 30 32 10 11 12 7 15 20 21 9 23 25 13 33 34 14 35 36 16 18 37 38 39 40 16 17 41 19 21 19 42 43 22 25 44 23 24 27 26 45 46 28 28 47 30 48 49 50 51 52 53 54 55 56 57 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 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 50 51 52 53 54 55 56 57 14.325 5.4641 5.4641 2.866 12.3633 8.9446 8.1331 8.9561 9.8622 13.0225 12.685 11.3825 14.0033 13.6658 9.7425 10.7233 9.4208 11.0609 10.08 8.9561 8.4269 8.0622 8.0622 7.1962 9.8622 6.3301 7.1962 6.3301 4.5981 3.732 5.4641 2 13.2471 12.4924 12.0722 12.6716 14.6161 14.0167 13.4412 14.1959 10.9227 11.4696 9.8806 8.055 7.1962 10.3979 7.1962 4.1996 4.9966 4.1306 3.3335 4.8441 5.4641 6.0841 2.31 1.4631 1.69 1.4367 -0.1632 -2.1632 -0.6632 1.8265 0.8714 1.4457 -2.1978 -1.684 2.5785 0.8796 2.0214 2.3836 0.6848 1.4643 1.2694 2.4112 2.9683 3.1632 -0.1285 2.3954 -0.6632 -1.6632 -0.1632 -0.6423 -0.6632 -2.1632 -1.6632 -0.6632 -0.1632 -3.1632 -0.1632 3.1564 2.9 0.7852 0.2598 2.478 3.0034 0.1069 0.3632 0.6824 3.4345 3.7502 2.8914 0.4568 -0.3303 -2.7832 -1.1381 -1.1381 0.3118 0.3118 -3.1632 -3.7832 -3.1632 0.3738 0.1468 -0.7001 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 12 12 15 15 17 17 18 20 20 22 22 23 24 26 27 7 15 21 9 23 25 16 18 16 17 19 21 19 22 25 23 24 27 26 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 595 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB8000000000000000000000000000001600000003C7881000000000058B1FE00001E00080000000C0CE19E063EC6F3080400A20334674400920C2021B2001898203EFC980F66E2C4F1DB97BC2AE6C819DAE807B0D0B30E28400102040240005080020408048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)-4-cinnolinyl]-6-indazolyl]morpholine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H25N5O4/c1-29-9-10-32-23-12-18-19(13-22(23)30-2)26-24-15-21(18)28-20-11-17(4-3-16(20)14-25-28)27-5-7-31-8-6-27/h3-4,11-15H,5-10H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IKYKNQYAXIKGTB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 435.19065430 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H25N5O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 435.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=CC(=C4)N5CCOCC5)C=N3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=CC(=C4)N5CCOCC5)C=N3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 435.19065430 32 0 0 0 0 0 0 0 1 -1