2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride

C122H133Br2Cl2F5N30O20 — CID 169424962

About 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride

2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride (PubChem CID 169424962) has the molecular formula C122H133Br2Cl2F5N30O20 and a molecular weight of 2665.30 g/mol. Its IUPAC name is 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride.

Molecular Properties

• Compound Name: 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride
• PubChem CID: 169424962
• Molecular Formula: C122H133Br2Cl2F5N30O20
• Molecular Weight: 2665.30 g/mol
• Exact Mass: 2660.80
• IUPAC Name: 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride
• SMILES: CN(Cc1nn(C)c(C#N)c1Br)C(=O)OC(C)(C)C.CNCc1nn(C)c(C#N)c1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2C(=O)O)c1.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N.C[C@@H](Oc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N)c1cc(F)ccc1C(=O)O.C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21.Cl.Cl
• InChI: InChI=1S/C27H31FN6O5.C26H29FN6O5.C21H21FN6O3.C21H19FN6O2.C15H14BrFN2O3.C12H17BrN4O2.2ClH/c1-15(19-11-17(28)8-9-18(19)25(35)37-7)38-22-10-16(13-31-24(22)30)23-20(32-34(6)21(23)12-29)14-33(5)26(36)39-27(2,3)4;1-14(18-10-16(27)7-8-17(18)24(34)35)37-21-9-15(12-30-23(21)29)22-19(31-33(6)20(22)11-28)13-32(5)25(36)38-26(2,3)4;1-11(15-7-13(22)4-5-14(15)21(29)30)31-18-6-12(9-26-20(18)24)19-16(10-25-2)27-28(3)17(19)8-23;1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12;1-8(22-13-5-9(16)7-19-14(13)18)12-6-10(17)3-4-11(12)15(20)21-2;1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8;;/h8-11,13,15H,14H2,1-7H3,(H2,30,31);7-10,12,14H,13H2,1-6H3,(H2,29,30)(H,34,35);4-7,9,11,25H,10H2,1-3H3,(H2,24,26)(H,29,30);4-7,9,11H,10H2,1-3H3,(H2,24,25);3-8H,1-2H3,(H2,18,19);7H2,1-5H3;2*1H/t15-;14-;2*11-;8-;;;/m11111.../s1
• InChIKey: QTNRERCPDGMCIR-MJLKLKEGSA-N
• XLogP: 20.84
• TPSA: 696.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 27
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.30
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride (CID 169424962) is 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride.

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

The canonical SMILES for 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride is CN(Cc1nn(C)c(C#N)c1Br)C(=O)OC(C)(C)C.CNCc1nn(C)c(C#N)c1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2C(=O)O)c1.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N.COC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N.C[C@@H](Oc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N)c1cc(F)ccc1C(=O)O.C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21.Cl.Cl.

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

The InChIKey is QTNRERCPDGMCIR-MJLKLKEGSA-N. The full InChI is InChI=1S/C27H31FN6O5.C26H29FN6O5.C21H21FN6O3.C21H19FN6O2.C15H14BrFN2O3.C12H17BrN4O2.2ClH/c1-15(19-11-17(28)8-9-18(19)25(35)37-7)38-22-10-16(13-31-24(22)30)23-20(32-34(6)21(23)12-29)14-33(5)26(36)39-27(2,3)4;1-14(18-10-16(27)7-8-17(18)24(34)35)37-21-9-15(12-30-23(21)29)22-19(31-33(6)20(22)11-28)13-32(5)25(36)38-26(2,3)4;1-11(15-7-13(22)4-5-14(15)21(29)30)31-18-6-12(9-26-20(18)24)19-16(10-25-2)27-28(3)17(19)8-23;1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12;1-8(22-13-5-9(16)7-19-14(13)18)12-6-10(17)3-4-11(12)15(20)21-2;1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8;;/h8-11,13,15H,14H2,1-7H3,(H2,30,31);7-10,12,14H,13H2,1-6H3,(H2,29,30)(H,34,35);4-7,9,11,25H,10H2,1-3H3,(H2,24,26)(H,29,30);4-7,9,11H,10H2,1-3H3,(H2,24,25);3-8H,1-2H3,(H2,18,19);7H2,1-5H3;2*1H/t15-;14-;2*11-;8-;;;/m11111.../s1.

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

2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride has a molecular weight of 2665.30 g/mol, XLogP of 20.84, 27 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoic acid;(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;methyl 2-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate;methyl 2-[(1R)-1-[[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]oxy]ethyl]-4-fluorobenzoate;dihydrochloride is sourced from PubChem (CID 169424962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).