dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate

C120H148B2Br2Cl6F2IK2N23O11 — CID 160566022

About dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate

dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate (PubChem CID 160566022) has the molecular formula C120H148B2Br2Cl6F2IK2N23O11 and a molecular weight of 2726.91 g/mol. Its IUPAC name is dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate.

Molecular Properties

• Compound Name: dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate
• PubChem CID: 160566022
• Molecular Formula: C120H148B2Br2Cl6F2IK2N23O11
• Molecular Weight: 2726.91 g/mol
• Exact Mass: 2720.68
• IUPAC Name: dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(N4CCN(C)CC4)nc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)C(/C=C/c1ccc(N3CCN(C)CC3)nc1)=NC2)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)c(I)nn2C1CCCCO1)c1c(Cl)cncc1Cl.CN1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCN(c2ccc(Br)cn2)CC1.CN1CCNCC1.Fc1ccc(Br)cn1.O=CO[O-].[2H]CF.[H-].[K+].[K+]
• InChI: InChI=1S/C27H27Cl2N5O.C26H26Cl2N6O.C19H18Cl2IN3O2.C18H28BN3O2.C10H14BrN3.C8H15BO2.C5H3BrFN.C5H12N2.CH3F.CH2O3.2K.H/c1-18(27-23(28)16-30-17-24(27)29)35-21-6-5-20-15-31-25(22(20)13-21)7-3-19-4-8-26(32-14-19)34-11-9-33(2)10-12-34;1-17(26-21(27)15-29-16-22(26)28)35-19-5-7-24-20(13-19)23(31-32-24)6-3-18-4-8-25(30-14-18)34-11-9-33(2)10-12-34;1-11(18-14(20)9-23-10-15(18)21)27-12-5-6-16-13(8-12)19(22)24-25(16)17-4-2-3-7-26-17;1-17(2)18(3,4)24-19(23-17)9-8-15-6-7-16(20-14-15)22-12-10-21(5)11-13-22;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-6-9-10-7(2,3)8(4,5)11-9;6-4-1-2-5(7)8-3-4;1-7-4-2-6-3-5-7;1-2;2-1-4-3;;;/h3-8,13-14,16-18H,9-12,15H2,1-2H3;3-8,13-17H,9-12H2,1-2H3,(H,31,32);5-6,8-11,17H,2-4,7H2,1H3;6-9,14H,10-13H2,1-5H3;2-3,8H,4-7H2,1H3;6H,1H2,2-5H3;1-3H;6H,2-5H2,1H3;1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/b7-3+;6-3+;;9-8+;;;;;;;;;/i;;;;;;;;1D
• InChIKey: GMDZDIGOLYMBGS-ZUWJWQRFSA-M
• XLogP: 18.12
• TPSA: 326.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2726.91
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate?

The IUPAC name of dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate (CID 160566022) is dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate.

What is the SMILES notation for dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate?

The canonical SMILES for dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate is C=CB1OC(C)(C)C(C)(C)O1.CC(Oc1ccc2[nH]nc(/C=C/c3ccc(N4CCN(C)CC4)nc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)C(/C=C/c1ccc(N3CCN(C)CC3)nc1)=NC2)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)c(I)nn2C1CCCCO1)c1c(Cl)cncc1Cl.CN1CCN(c2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cn2)CC1.CN1CCN(c2ccc(Br)cn2)CC1.CN1CCNCC1.Fc1ccc(Br)cn1.O=CO[O-].[2H]CF.[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate?

The InChIKey is GMDZDIGOLYMBGS-ZUWJWQRFSA-M. The full InChI is InChI=1S/C27H27Cl2N5O.C26H26Cl2N6O.C19H18Cl2IN3O2.C18H28BN3O2.C10H14BrN3.C8H15BO2.C5H3BrFN.C5H12N2.CH3F.CH2O3.2K.H/c1-18(27-23(28)16-30-17-24(27)29)35-21-6-5-20-15-31-25(22(20)13-21)7-3-19-4-8-26(32-14-19)34-11-9-33(2)10-12-34;1-17(26-21(27)15-29-16-22(26)28)35-19-5-7-24-20(13-19)23(31-32-24)6-3-18-4-8-25(30-14-18)34-11-9-33(2)10-12-34;1-11(18-14(20)9-23-10-15(18)21)27-12-5-6-16-13(8-12)19(22)24-25(16)17-4-2-3-7-26-17;1-17(2)18(3,4)24-19(23-17)9-8-15-6-7-16(20-14-15)22-12-10-21(5)11-13-22;1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;1-6-9-10-7(2,3)8(4,5)11-9;6-4-1-2-5(7)8-3-4;1-7-4-2-6-3-5-7;1-2;2-1-4-3;;;/h3-8,13-14,16-18H,9-12,15H2,1-2H3;3-8,13-17H,9-12H2,1-2H3,(H,31,32);5-6,8-11,17H,2-4,7H2,1H3;6-9,14H,10-13H2,1-5H3;2-3,8H,4-7H2,1H3;6H,1H2,2-5H3;1-3H;6H,2-5H2,1H3;1H3;1,3H;;;/q;;;;;;;;;;2*+1;-1/p-1/b7-3+;6-3+;;9-8+;;;;;;;;;/i;;;;;;;;1D;;;;.

What are the key properties of dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate?

dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate has a molecular weight of 2726.91 g/mol, XLogP of 18.12, 22 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-bromo-2-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;deuterio(fluoro)methane;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazole;5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-isoindole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;hydride;1-methylpiperazine;1-methyl-4-[5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-2-pyridinyl]piperazine;oxido formate is sourced from PubChem (CID 160566022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).