2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile

C116H100Br4F9I6N23O18 — CID 157161494

About 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile

2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile (PubChem CID 157161494) has the molecular formula C116H100Br4F9I6N23O18 and a molecular weight of 3356.24 g/mol. Its IUPAC name is 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
• PubChem CID: 157161494
• Molecular Formula: C116H100Br4F9I6N23O18
• Molecular Weight: 3356.24 g/mol
• Exact Mass: 3350.85
• IUPAC Name: 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile
• SMILES: CC(O)c1cccc(F)c1I.CC(Oc1cc(Br)cnc1N)c1cccc(F)c1C(=O)N(C)Cc1cc(C#N)n(C)n1.CC(Oc1cc(Br)cnc1N)c1cccc(F)c1I.CC(Oc1cc(Br)cnc1[N+](=O)[O-])c1cccc(F)c1I.CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2c(F)cccc21.CNCc1cc(C#N)n(C)n1.Nc1c(F)cccc1C(=O)O.O=C(O)c1cccc(F)c1I.O=Cc1cccc(F)c1I.O=[N+]([O-])c1ncc(Br)cc1O.OCc1cccc(F)c1I
• InChI: InChI=1S/C21H20BrFN6O2.C21H19FN6O2.C13H9BrFIN2O3.C13H11BrFIN2O.C8H8FIO.C7H4FIO2.C7H6FIO.C7H4FIO.C7H6FNO2.C7H10N4.C5H3BrN2O3/c1-12(31-18-7-13(22)10-26-20(18)25)16-5-4-6-17(23)19(16)21(30)28(2)11-14-8-15(9-24)29(3)27-14;1-11-13-5-4-6-14(22)19(13)21(29)27(2)10-15-18(16(8-23)28(3)26-15)12-7-17(30-11)20(24)25-9-12;1-7(9-3-2-4-10(15)12(9)16)21-11-5-8(14)6-17-13(11)18(19)20;1-7(9-3-2-4-10(15)12(9)16)19-11-5-8(14)6-18-13(11)17;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11;2*8-6-3-1-2-5(4-10)7(6)9;8-5-3-1-2-4(6(5)9)7(10)11;1-9-5-6-3-7(4-8)11(2)10-6;6-3-1-4(9)5(7-2-3)8(10)11/h4-8,10,12H,11H2,1-3H3,(H2,25,26);4-7,9,11H,10H2,1-3H3,(H2,24,25);2-7H,1H3;2-7H,1H3,(H2,17,18);2-5,11H,1H3;1-3H,(H,10,11);1-3,10H,4H2;1-4H;1-3H,9H2,(H,10,11);3,9H,5H2,1-2H3;1-2,9H
• InChIKey: AMKUNPGMDZLLSX-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 621.57 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3356.24
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?

The IUPAC name of 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile (CID 157161494) is 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile.

What is the SMILES notation for 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?

The canonical SMILES for 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile is CC(O)c1cccc(F)c1I.CC(Oc1cc(Br)cnc1N)c1cccc(F)c1C(=O)N(C)Cc1cc(C#N)n(C)n1.CC(Oc1cc(Br)cnc1N)c1cccc(F)c1I.CC(Oc1cc(Br)cnc1[N+](=O)[O-])c1cccc(F)c1I.CC1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2c(F)cccc21.CNCc1cc(C#N)n(C)n1.Nc1c(F)cccc1C(=O)O.O=C(O)c1cccc(F)c1I.O=Cc1cccc(F)c1I.O=[N+]([O-])c1ncc(Br)cc1O.OCc1cccc(F)c1I.

What is the InChIKey of 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?

The InChIKey is AMKUNPGMDZLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN6O2.C21H19FN6O2.C13H9BrFIN2O3.C13H11BrFIN2O.C8H8FIO.C7H4FIO2.C7H6FIO.C7H4FIO.C7H6FNO2.C7H10N4.C5H3BrN2O3/c1-12(31-18-7-13(22)10-26-20(18)25)16-5-4-6-17(23)19(16)21(30)28(2)11-14-8-15(9-24)29(3)27-14;1-11-13-5-4-6-14(22)19(13)21(29)27(2)10-15-18(16(8-23)28(3)26-15)12-7-17(30-11)20(24)25-9-12;1-7(9-3-2-4-10(15)12(9)16)21-11-5-8(14)6-17-13(11)18(19)20;1-7(9-3-2-4-10(15)12(9)16)19-11-5-8(14)6-18-13(11)17;1-5(11)6-3-2-4-7(9)8(6)10;8-5-3-1-2-4(6(5)9)7(10)11;2*8-6-3-1-2-5(4-10)7(6)9;8-5-3-1-2-4(6(5)9)7(10)11;1-9-5-6-3-7(4-8)11(2)10-6;6-3-1-4(9)5(7-2-3)8(10)11/h4-8,10,12H,11H2,1-3H3,(H2,25,26);4-7,9,11H,10H2,1-3H3,(H2,24,25);2-7H,1H3;2-7H,1H3,(H2,17,18);2-5,11H,1H3;1-3H,(H,10,11);1-3,10H,4H2;1-4H;1-3H,9H2,(H,10,11);3,9H,5H2,1-2H3;1-2,9H.

What are the key properties of 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile?

2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile has a molecular weight of 3356.24 g/mol, XLogP of 26.68, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-N-[(5-cyano-1-methylpyrazol-3-yl)methyl]-6-fluoro-N-methylbenzamide;2-amino-3-fluorobenzoic acid;19-amino-11-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;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]-2-nitropyridine;5-bromo-3-[1-(3-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine;5-bromo-2-nitropyridin-3-ol;3-fluoro-2-iodobenzaldehyde;3-fluoro-2-iodobenzoic acid;1-(3-fluoro-2-iodophenyl)ethanol;(3-fluoro-2-iodophenyl)methanol;1-methyl-3-(methylaminomethyl)pyrazole-5-carbonitrile is sourced from PubChem (CID 157161494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).