49795456 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 8 7 7 7 7 7 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 2 2 2 3 3 4 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 13 13 14 14 15 15 16 17 19 20 20 20 21 21 21 22 22 22 18 4 7 9 9 12 16 18 20 21 16 22 30 8 12 10 13 14 11 23 15 18 24 17 25 19 26 17 27 19 28 29 31 32 33 34 35 36 37 38 39 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 2 1 1 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 4.7175 5.4641 6.4103 4.5981 6.0066 2.866 6.4103 6.721 5.4641 6.0531 6.3638 6.9939 7.6995 4.5981 7.3423 3.732 8.0102 5.696 3.732 5.3388 6.9851 2 5.4465 7.6139 8.1136 4.5981 7.5349 8.6168 3.1951 2.866 4.8773 4.9247 5.8002 6.8573 7.5918 7.113 2.31 1.4631 1.69 -1.5436 1.9446 3.2493 1.4446 -2.7003 1.4446 1.6399 0.6893 2.9446 -0.055 -1.0055 2.4446 0.4831 3.4446 -1.2117 1.9446 -0.4674 -1.7498 2.9446 -3.4446 -2.9065 1.9446 0.0729 2.4446 0.9446 4.0646 -1.801 -0.5952 3.2546 0.8246 -3.0305 -3.9061 -3.8587 -3.5132 -3.0344 -2.2998 2.4815 2.2546 1.4077 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 7 8 8 9 10 11 13 14 15 16 4 7 9 9 12 16 12 10 13 14 11 15 17 19 17 19 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 402 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 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 00000371E07BA0000000000000000000000000000001600000003C400000000000005801F000001E00180000000C08C19F043FB09FC81000AA033777740092842F3512A01DD8A13874D88868F2C09D9194A108789A02C8C9A71889C09E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-3-[6-(methylamino)-3-imidazo[1,2-b]pyridazinyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>,<I>N</I>-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-dimethyl-3-[6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H17N5O/c1-17-14-7-8-15-18-10-13(21(15)19-14)11-5-4-6-12(9-11)16(22)20(2)3/h4-10H,1-3H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XVAIOXNKXFUHRZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.14331018 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H17N5O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC1=NN2C(=NC=C2C3=CC(=CC=C3)C(=O)N(C)C)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC1=NN2C(=NC=C2C3=CC(=CC=C3)C(=O)N(C)C)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.14331018 22 0 0 0 0 0 0 0 1 -1