57396634 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 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 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 14 15 15 16 17 17 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 25 26 26 27 27 28 20 21 7 13 40 6 13 16 17 18 19 14 16 27 8 9 29 10 30 31 11 32 33 12 34 35 12 36 37 38 39 14 15 22 23 26 20 41 42 21 43 44 24 25 45 46 47 48 24 49 25 50 51 52 28 53 28 54 55 1 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 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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 11.2619 4.9889 3.732 9.2619 4.6783 2.866 4.3211 3.3426 4.6318 2.6747 3.9639 2.9854 4.6783 5.2619 6.2619 3.732 9.7619 9.7619 8.2619 10.7619 10.7619 6.7619 6.7619 7.7619 7.7619 2.866 2 2 4.1285 3.5738 2.8162 5.0143 5.1787 2.2922 2.1278 3.7326 4.4903 2.3716 2.9648 5.5956 9.8695 9.1793 9.1793 9.8695 11.3445 10.6542 10.6542 11.3445 6.4519 6.4519 8.0719 8.0719 2.866 1.4631 1.4631 1.5972 -0.1581 1.0972 1.5972 2.4019 0.5972 -0.9024 -0.6961 -1.8529 -1.4404 -2.5972 -2.391 0.7925 1.5972 1.5972 2.0972 2.4632 0.7312 1.5972 2.4632 0.7312 0.7312 2.4632 0.7312 2.4632 2.5972 1.0972 2.0972 -0.313 -0.1209 -0.3685 -2.3408 -1.5609 -0.9525 -1.7325 -3.1724 -2.9248 -2.4783 -3.0106 -0.2859 3.0738 2.6753 0.5191 0.1206 2.6753 3.0738 0.1206 0.5191 0.1942 3.0002 0.1942 3.0002 3.2172 0.7872 2.4072 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 5 6 13 15 15 16 19 19 22 23 26 27 6 13 16 14 16 27 14 22 23 26 24 25 24 25 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 485 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BA0000000000000000000000000000001600000003C788100000000005801F000001E00180000000C28E19F063DF09FC81400A2033667640092842F2192A01D98A03874988A68E2C0999197A008789802D8C8271080800E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-morpholinophenyl)imidazo[1,2-b]pyridazin-3-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-[4-(4-morpholinyl)phenyl]-3-imidazo[1,2-b]pyridazinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-3-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-3-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-b]pyridazin-3-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclohexyl-[2-(4-morpholinophenyl)imidazo[1,2-b]pyridazin-3-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H27N5O/c1-2-5-18(6-3-1)24-22-21(25-20-7-4-12-23-27(20)22)17-8-10-19(11-9-17)26-13-15-28-16-14-26/h4,7-12,18,24H,1-3,5-6,13-16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TXBZSAMCQWEJGR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.22156050 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H27N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2N=CC=C3)C4=CC=C(C=C4)N5CCOCC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC2=C(N=C3N2N=CC=C3)C4=CC=C(C=C4)N5CCOCC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.22156050 28 0 0 0 0 0 0 0 1 -1