3240115 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 9 8 8 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 2 2 3 4 4 4 5 5 5 6 6 7 7 8 9 10 11 11 12 12 13 13 13 14 15 15 16 16 17 19 19 20 20 22 22 22 23 23 23 21 18 22 18 8 10 12 8 13 24 9 10 14 17 9 11 14 15 16 17 25 18 26 27 28 19 29 20 30 31 21 32 21 33 23 34 35 36 37 38 1 1 1 2 1 1 1 1 1 1 1 2 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 2 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 9.2619 3.9639 5.6103 3.732 4.9889 4.6783 2 4.6783 5.2619 3.732 6.2619 2.866 4.3211 2.866 6.7619 6.7619 2 4.6318 7.7619 7.7619 8.2619 4.2746 3.6067 5.5956 2.866 3.7742 3.9385 2.866 6.4519 6.4519 1.4631 8.0719 8.0719 4.8215 4.6571 4.0682 3.1927 3.1453 -2.4446 1.7498 1.2117 -1.9446 -0.6893 -3.2493 -2.9446 -1.6399 -2.4446 -2.9446 -2.4446 -1.4446 0.055 -3.4446 -3.3106 -1.5786 -1.9446 1.0055 -3.3106 -1.5786 -2.4446 2.7003 3.4446 -0.5615 -0.8246 0.347 -0.433 -4.0646 -3.8476 -1.0416 -1.6346 -3.8476 -1.0416 2.4083 3.1882 3.8587 3.9061 3.0305 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 4 6 6 7 7 8 10 11 11 12 15 16 19 20 8 10 12 9 10 14 17 9 14 15 16 17 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 404 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07BB1000000000000000000000000000001600000003C400000000000005801F000001F00100000000C08E19F0E3FB89FCC1C00A80336F76C0082802D3112A009D8A0B874988A68E2C09931972008688002D8C8271080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyrazinyl]amino]acetic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H15FN4O2/c1-2-23-14(22)10-19-16-15(11-3-5-12(17)6-4-11)20-13-9-18-7-8-21(13)16/h3-9,19H,2,10H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FOVDXYCZMKFQPM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.11790390 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H15FN4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)CNC1=C(N=C2N1C=CN=C2)C3=CC=C(C=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)CNC1=C(N=C2N1C=CN=C2)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.11790390 23 0 0 0 0 0 0 0 1 -1