sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride

C144H172Br7ClF7N30NaO26 — CID 159990479

About sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride

sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride (PubChem CID 159990479) has the molecular formula C144H172Br7ClF7N30NaO26 and a molecular weight of 3489.90 g/mol. Its IUPAC name is sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride
• PubChem CID: 159990479
• Molecular Formula: C144H172Br7ClF7N30NaO26
• Molecular Weight: 3489.90 g/mol
• Exact Mass: 3480.68
• IUPAC Name: sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)NCCCCBr.CC=Nc1cccc(C(=O)C/N=C/N(C)C)n1.CN1CC=C(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1.CN1CCNCC1.COC(=O)c1cc(F)c(Br)cc1O.COC(=O)c1cc(F)c(Br)cc1OCCCCN.COC(=O)c1cc(F)c(Br)cc1OCCCCNC(=O)OC(C)(C)C.COC(=O)c1cc(F)c(Br)cc1OCCCCn1cnnc1-c1cccc(NC=O)n1.Cl.Nc1cccc(-c2nncn2CCCCOc2cc(Br)c(F)cc2C(=O)O)n1.O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(Br)c(F)cc21.[Na+].[OH-]
• InChI: InChI=1S/C24H25FN6O2.C20H19BrFN5O4.C18H17BrFN5O3.C18H15BrFN5O2.C17H23BrFNO5.C12H15BrFNO3.C12H16N4O.C9H18BrNO2.C8H6BrFO3.C5H12N2.CH4.ClH.Na.H2O/c1-30-10-7-16(8-11-30)17-14-21-18(13-19(17)25)24(32)28-22-6-4-5-20(27-22)23-29-26-15-31(23)9-2-3-12-33-21;1-30-20(29)13-9-15(22)14(21)10-17(13)31-8-3-2-7-27-11-24-26-19(27)16-5-4-6-18(25-16)23-12-28;19-12-9-15(11(18(26)27)8-13(12)20)28-7-2-1-6-25-10-22-24-17(25)14-4-3-5-16(21)23-14;19-12-9-15-11(8-13(12)20)18(26)23-16-5-3-4-14(22-16)17-24-21-10-25(17)6-1-2-7-27-15;1-17(2,3)25-16(22)20-7-5-6-8-24-14-10-12(18)13(19)9-11(14)15(21)23-4;1-17-12(16)8-6-10(14)9(13)7-11(8)18-5-3-2-4-15;1-4-14-12-7-5-6-10(15-12)11(17)8-13-9-16(2)3;1-9(2,3)13-8(12)11-7-5-4-6-10;1-13-8(12)4-2-6(10)5(9)3-7(4)11;1-7-4-2-6-3-5-7;;;;/h4-7,13-15H,2-3,8-12H2,1H3,(H,27,28,32);4-6,9-12H,2-3,7-8H2,1H3,(H,23,25,28);3-5,8-10H,1-2,6-7H2,(H2,21,23)(H,26,27);3-5,8-10H,1-2,6-7H2,(H,22,23,26);9-10H,5-8H2,1-4H3,(H,20,22);6-7H,2-5,15H2,1H3;4-7,9H,8H2,1-3H3;4-7H2,1-3H3,(H,11,12);2-3,11H,1H3;6H,2-5H2,1H3;1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;;13-9+,14-4?
• InChIKey: HDQHTZOEBMHNKY-DXSDJTKQSA-M
• XLogP: 24.43
• TPSA: 714.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 49
• Rotatable Bonds: 42
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3489.90
LogP ≤ 5	24.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride?

The IUPAC name of sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride (CID 159990479) is sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride.

What is the SMILES notation for sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride?

The canonical SMILES for sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride is C.CC(C)(C)OC(=O)NCCCCBr.CC=Nc1cccc(C(=O)C/N=C/N(C)C)n1.CN1CC=C(c2cc3c(cc2F)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)CC1.CN1CCNCC1.COC(=O)c1cc(F)c(Br)cc1O.COC(=O)c1cc(F)c(Br)cc1OCCCCN.COC(=O)c1cc(F)c(Br)cc1OCCCCNC(=O)OC(C)(C)C.COC(=O)c1cc(F)c(Br)cc1OCCCCn1cnnc1-c1cccc(NC=O)n1.Cl.Nc1cccc(-c2nncn2CCCCOc2cc(Br)c(F)cc2C(=O)O)n1.O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(Br)c(F)cc21.[Na+].[OH-].

What is the InChIKey of sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride?

The InChIKey is HDQHTZOEBMHNKY-DXSDJTKQSA-M. The full InChI is InChI=1S/C24H25FN6O2.C20H19BrFN5O4.C18H17BrFN5O3.C18H15BrFN5O2.C17H23BrFNO5.C12H15BrFNO3.C12H16N4O.C9H18BrNO2.C8H6BrFO3.C5H12N2.CH4.ClH.Na.H2O/c1-30-10-7-16(8-11-30)17-14-21-18(13-19(17)25)24(32)28-22-6-4-5-20(27-22)23-29-26-15-31(23)9-2-3-12-33-21;1-30-20(29)13-9-15(22)14(21)10-17(13)31-8-3-2-7-27-11-24-26-19(27)16-5-4-6-18(25-16)23-12-28;19-12-9-15(11(18(26)27)8-13(12)20)28-7-2-1-6-25-10-22-24-17(25)14-4-3-5-16(21)23-14;19-12-9-15-11(8-13(12)20)18(26)23-16-5-3-4-14(22-16)17-24-21-10-25(17)6-1-2-7-27-15;1-17(2,3)25-16(22)20-7-5-6-8-24-14-10-12(18)13(19)9-11(14)15(21)23-4;1-17-12(16)8-6-10(14)9(13)7-11(8)18-5-3-2-4-15;1-4-14-12-7-5-6-10(15-12)11(17)8-13-9-16(2)3;1-9(2,3)13-8(12)11-7-5-4-6-10;1-13-8(12)4-2-6(10)5(9)3-7(4)11;1-7-4-2-6-3-5-7;;;;/h4-7,13-15H,2-3,8-12H2,1H3,(H,27,28,32);4-6,9-12H,2-3,7-8H2,1H3,(H,23,25,28);3-5,8-10H,1-2,6-7H2,(H2,21,23)(H,26,27);3-5,8-10H,1-2,6-7H2,(H,22,23,26);9-10H,5-8H2,1-4H3,(H,20,22);6-7H,2-5,15H2,1H3;4-7,9H,8H2,1-3H3;4-7H2,1-3H3,(H,11,12);2-3,11H,1H3;6H,2-5H2,1H3;1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/b;;;;;;13-9+,14-4?;;;;;;;.

What are the key properties of sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride?

sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride has a molecular weight of 3489.90 g/mol, XLogP of 24.43, 42 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]-4-bromo-5-fluorobenzoic acid;14-bromo-15-fluoro-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;tert-butyl N-(4-bromobutyl)carbamate;N'-[2-[6-(ethylideneamino)-2-pyridinyl]-2-oxoethyl]-N,N-dimethylmethanimidamide;15-fluoro-14-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-(4-aminobutoxy)-4-bromo-5-fluorobenzoate;methyl 4-bromo-5-fluoro-2-[4-[3-(6-formamido-2-pyridinyl)-1,2,4-triazol-4-yl]butoxy]benzoate;methyl 4-bromo-5-fluoro-2-hydroxybenzoate;methyl 4-bromo-5-fluoro-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]benzoate;1-methylpiperazine;hydroxide;hydrochloride is sourced from PubChem (CID 159990479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).