2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate

C113H122Br2F5N35O18 — CID 159834584

About 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate

2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate (PubChem CID 159834584) has the molecular formula C113H122Br2F5N35O18 and a molecular weight of 2513.24 g/mol. Its IUPAC name is 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate.

Molecular Properties

• Compound Name: 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate
• PubChem CID: 159834584
• Molecular Formula: C113H122Br2F5N35O18
• Molecular Weight: 2513.24 g/mol
• Exact Mass: 2509.80
• IUPAC Name: 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate
• SMILES: C/N=C(\CN(C)C(=O)OC(C)(C)C)C(Br)=C(N)C#N.CNCc1c(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3C(=O)O)n2)c(C#N)nn1C.CNCc1c(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3C(=O)OC)n2)c(C#N)nn1C.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(-c2c(C#N)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(Br)cnc1N.C[C@H]1Oc2nc(cnc2N)-c2c(C#N)nn(C)c2CN(C)C(=O)c2ccc(F)cc21
• InChI: InChI=1S/C26H30FN7O5.C21H22FN7O3.C20H20FN7O3.C20H18FN7O2.C14H13BrFN3O3.C12H19BrN4O2/c1-14(17-10-15(27)8-9-16(17)24(35)37-7)38-23-22(29)30-12-19(31-23)21-18(11-28)32-34(6)20(21)13-33(5)25(36)39-26(2,3)4;1-11(14-7-12(22)5-6-13(14)21(30)31-4)32-20-19(24)26-9-16(27-20)18-15(8-23)28-29(3)17(18)10-25-2;1-10(13-6-11(21)4-5-12(13)20(29)30)31-19-18(23)25-8-15(26-19)17-14(7-22)27-28(3)16(17)9-24-2;1-10-13-6-11(21)4-5-12(13)20(29)27(2)9-16-17(14(7-22)26-28(16)3)15-8-24-18(23)19(25-15)30-10;1-7(22-13-12(17)18-6-11(15)19-13)10-5-8(16)3-4-9(10)14(20)21-2;1-12(2,3)19-11(18)17(5)7-9(16-4)10(13)8(15)6-14/h8-10,12,14H,13H2,1-7H3,(H2,29,30);5-7,9,11,25H,10H2,1-4H3,(H2,24,26);4-6,8,10,24H,9H2,1-3H3,(H2,23,25)(H,29,30);4-6,8,10H,9H2,1-3H3,(H2,23,24);3-7H,1-2H3,(H2,17,18);7,15H2,1-5H3/b;;;;;10-8?,16-9+/t14-;11-;2*10-;7-;/m11111./s1
• InChIKey: ABCZQFBKYUCENV-QBKKGEOWSA-N
• XLogP: 15.00
• TPSA: 753.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.24
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate?

The IUPAC name of 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate (CID 159834584) is 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate.

What is the SMILES notation for 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate?

The canonical SMILES for 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate is C/N=C(\CN(C)C(=O)OC(C)(C)C)C(Br)=C(N)C#N.CNCc1c(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3C(=O)O)n2)c(C#N)nn1C.CNCc1c(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3C(=O)OC)n2)c(C#N)nn1C.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(-c2c(C#N)nn(C)c2CN(C)C(=O)OC(C)(C)C)cnc1N.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(Br)cnc1N.C[C@H]1Oc2nc(cnc2N)-c2c(C#N)nn(C)c2CN(C)C(=O)c2ccc(F)cc21.

What is the InChIKey of 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate?

The InChIKey is ABCZQFBKYUCENV-QBKKGEOWSA-N. The full InChI is InChI=1S/C26H30FN7O5.C21H22FN7O3.C20H20FN7O3.C20H18FN7O2.C14H13BrFN3O3.C12H19BrN4O2/c1-14(17-10-15(27)8-9-16(17)24(35)37-7)38-23-22(29)30-12-19(31-23)21-18(11-28)32-34(6)20(21)13-33(5)25(36)39-26(2,3)4;1-11(14-7-12(22)5-6-13(14)21(30)31-4)32-20-19(24)26-9-16(27-20)18-15(8-23)28-29(3)17(18)10-25-2;1-10(13-6-11(21)4-5-12(13)20(29)30)31-19-18(23)25-8-15(26-19)17-14(7-22)27-28(3)16(17)9-24-2;1-10-13-6-11(21)4-5-12(13)20(29)27(2)9-16-17(14(7-22)26-28(16)3)15-8-24-18(23)19(25-15)30-10;1-7(22-13-12(17)18-6-11(15)19-13)10-5-8(16)3-4-9(10)14(20)21-2;1-12(2,3)19-11(18)17(5)7-9(16-4)10(13)8(15)6-14/h8-10,12,14H,13H2,1-7H3,(H2,29,30);5-7,9,11,25H,10H2,1-4H3,(H2,24,26);4-6,8,10,24H,9H2,1-3H3,(H2,23,25)(H,29,30);4-6,8,10H,9H2,1-3H3,(H2,23,24);3-7H,1-2H3,(H2,17,18);7,15H2,1-5H3/b;;;;;10-8?,16-9+/t14-;11-;2*10-;7-;/m11111./s1.

What are the key properties of 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate?

2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate has a molecular weight of 2513.24 g/mol, XLogP of 15.00, 28 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-5,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;tert-butyl N-(4-amino-3-bromo-4-cyano-2-methyliminobut-3-enyl)-N-methylcarbamate;methyl 2-[(1R)-1-(3-amino-6-bromopyrazin-2-yl)oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-(methylaminomethyl)pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[3-amino-6-[3-cyano-1-methyl-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]pyrazin-2-yl]oxyethyl]-4-fluorobenzoate is sourced from PubChem (CID 159834584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).