44233562 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 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 11 12 12 13 14 14 15 15 16 17 19 21 21 22 22 23 24 24 25 25 25 26 13 19 20 10 14 17 18 20 25 32 18 34 35 23 26 10 11 13 17 12 27 15 20 16 18 19 16 28 29 30 21 22 23 24 31 33 26 36 37 38 39 40 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 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 5.4641 2 8.9282 4.5981 4.5981 9.7942 2.866 3.732 6.3301 5.4641 7.1962 8.0622 6.3301 3.732 8.0622 7.1962 5.4641 3.732 2.866 8.9282 2.866 2 3.732 2 10.6603 2.866 7.1962 8.5991 7.1962 6.001 1.4631 9.7942 4.269 2.866 2.3291 1.4631 10.9703 11.1972 10.3503 2.866 -1.31 0.69 1.69 0.19 2.19 0.19 2.19 -2.31 0.19 0.69 0.69 0.19 -0.81 0.69 -0.81 -1.31 1.69 1.69 0.19 0.69 -0.81 -1.31 -1.31 -2.31 0.69 -2.81 1.31 -1.12 -1.93 2 -1 -0.43 -1 2.81 1.88 -2.62 0.1531 1 1.2269 -3.43 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 8 9 9 10 11 12 13 14 15 21 21 22 24 10 14 17 18 23 26 11 13 17 12 15 16 18 16 22 23 24 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 520 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB1000000000000000000000000000000000000003C588000000000000001F000001F00100000000C0CC19E0C3FB092C81000A803B777740082802D37122008D8A1B874D88860FAC095B1942188608202C8C9E71889C09E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-N-methyl-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-amino-6-[oxo(3-pyridinyl)methyl]-2-pyrazinyl]-4-fluoro-N-methylbenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-<I>N</I>-methylbenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-4-fluoro-N-methylbenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(5-azanyl-6-pyridin-3-ylcarbonyl-pyrazin-2-yl)-4-fluoranyl-N-methyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(5-amino-6-nicotinoyl-pyrazin-2-yl)-4-fluoro-N-methyl-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H14FN5O2/c1-21-18(26)10-4-5-13(19)12(7-10)14-9-23-17(20)15(24-14)16(25)11-3-2-6-22-8-11/h2-9H,1H3,(H2,20,23)(H,21,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OHGHANOAFIVJGJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.11315287 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H14FN5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)C1=CC(=C(C=C1)F)C2=CN=C(C(=N2)C(=O)C3=CN=CC=C3)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CNC(=O)C1=CC(=C(C=C1)F)C2=CN=C(C(=N2)C(=O)C3=CN=CC=C3)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.11315287 26 0 0 0 0 0 0 0 1 -1