57291394 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 9 7 7 7 7 7 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 2 2 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 13 14 15 15 16 18 19 19 20 21 21 22 22 23 18 3 7 8 15 16 14 17 16 20 17 40 41 9 24 25 10 11 13 26 27 12 14 17 28 18 19 29 30 31 32 20 33 34 21 22 35 36 23 37 23 38 39 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 2 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 2.866 5.4641 6.3301 5.4641 7.9128 7.1962 4.5981 5.4641 4.5981 4.5981 6.3301 3.732 3.732 4.5981 6.4347 7.2437 6.3301 2.866 3.732 7.4128 2 2.866 2 3.9875 4.386 5.2087 4.8101 6.8671 4.042 3.1951 3.422 4.0611 5.9739 7.3726 4.269 7.665 1.4631 2.866 1.4631 7.1962 7.7331 -1.69 0.81 1.31 -2.19 1.6464 -2.19 1.31 -0.19 2.31 -0.69 -0.69 -0.19 2.81 -1.69 2.3045 0.9033 -1.69 -0.69 0.81 2.5124 -0.19 1.31 0.81 1.4177 0.7274 2.2023 2.8926 -0.38 3.3469 3.12 2.2731 -2 2.7194 0.2968 1.12 3.0788 -0.5 1.93 1.12 -2.81 -1.88 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 8 8 10 11 12 12 15 18 19 21 22 15 16 14 17 16 20 10 11 14 17 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 369 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B81000000000000000000000000000001600000003C400000000000000001F000001D00180000000C08C11A0C3FF096481000A0023667640092842D3112A01DD820387498886862C0D9D1942408689802C8C8271080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-fluorophenyl)-N4-imidazol-1-yl-N4-propyl-pyridine-2,4-diamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-fluorophenyl)-N4-(1-imidazolyl)-N4-propylpyridine-2,4-diamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-fluorophenyl)-4-<I>N</I>-imidazol-1-yl-4-<I>N</I>-propylpyridine-2,4-diamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-fluorophenyl)-4-N-imidazol-1-yl-4-N-propylpyridine-2,4-diamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-fluorophenyl)-N4-imidazol-1-yl-N4-propyl-pyridine-2,4-diamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-amino-5-(2-fluorophenyl)-4-pyridyl]-imidazol-1-yl-propyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H18FN5/c1-2-8-23(22-9-7-20-12-22)16-10-17(19)21-11-14(16)13-5-3-4-6-15(13)18/h3-7,9-12H,2,8H2,1H3,(H2,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QMQIWMLFSBXTFN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.15462376 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H18FN5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(C1=CC(=NC=C1C2=CC=CC=C2F)N)N3C=CN=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN(C1=CC(=NC=C1C2=CC=CC=C2F)N)N3C=CN=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 311.15462376 23 0 0 0 0 0 0 0 1 -1