5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate

C111H114BBrCl8IN17O14 — CID 164949226

About 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate (PubChem CID 164949226) has the molecular formula C111H114BBrCl8IN17O14 and a molecular weight of 2411.48 g/mol. Its IUPAC name is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate
• PubChem CID: 164949226
• Molecular Formula: C111H114BBrCl8IN17O14
• Molecular Weight: 2411.48 g/mol
• Exact Mass: 2405.46
• IUPAC Name: 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1nn(C2CCCCO2)c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12.COC(=O)c1ccc(/C=C/c2nn(C3CCCCO3)c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.COC(=O)c1ccc(Br)cn1.C[C@@H](Oc1ccc2c(c1)c(I)nn2C1CCCCO1)c1c(Cl)cncc1Cl.C[C@@H]1CN(C(=O)c2ccc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C[C@H](C)N1
• InChI: InChI=1S/C28H28Cl2N6O2.C28H26Cl2N4O4.C21H21Cl2N3O2.C19H18Cl2IN3O2.C8H15BO2.C7H6BrNO2/c1-16-14-36(15-17(2)33-16)28(37)26-8-5-19(11-32-26)4-7-24-21-10-20(6-9-25(21)35-34-24)38-18(3)27-22(29)12-31-13-23(27)30;1-17(27-21(29)15-31-16-22(27)30)38-19-8-11-25-20(13-19)23(33-34(25)26-5-3-4-12-37-26)9-6-18-7-10-24(32-14-18)28(35)36-2;1-3-18-15-10-14(28-13(2)21-16(22)11-24-12-17(21)23)7-8-19(15)26(25-18)20-6-4-5-9-27-20;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;1-6-9-10-7(2,3)8(4,5)11-9;1-11-7(10)6-3-2-5(8)4-9-6/h4-13,16-18,33H,14-15H2,1-3H3,(H,34,35);6-11,13-17,26H,3-5,12H2,1-2H3;3,7-8,10-13,20H,1,4-6,9H2,2H3;5-6,8-11,17H,2-4,7H2,1H3;6H,1H2,2-5H3;2-4H,1H3/b7-4+;9-6+;;;;/t16-,17+,18-;17-,26?;13-,20?;11-,17?;;/m1111../s1
• InChIKey: AHISZPKSYZLHCC-OIKZJMAXSA-N
• XLogP: 28.56
• TPSA: 340.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2411.48
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate?

The IUPAC name of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate (CID 164949226) is 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate.

What is the SMILES notation for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate?

The canonical SMILES for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1nn(C2CCCCO2)c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12.COC(=O)c1ccc(/C=C/c2nn(C3CCCCO3)c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)cn1.COC(=O)c1ccc(Br)cn1.C[C@@H](Oc1ccc2c(c1)c(I)nn2C1CCCCO1)c1c(Cl)cncc1Cl.C[C@@H]1CN(C(=O)c2ccc(/C=C/c3n[nH]c4ccc(O[C@H](C)c5c(Cl)cncc5Cl)cc34)cn2)C[C@H](C)N1.

What is the InChIKey of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate?

The InChIKey is AHISZPKSYZLHCC-OIKZJMAXSA-N. The full InChI is InChI=1S/C28H28Cl2N6O2.C28H26Cl2N4O4.C21H21Cl2N3O2.C19H18Cl2IN3O2.C8H15BO2.C7H6BrNO2/c1-16-14-36(15-17(2)33-16)28(37)26-8-5-19(11-32-26)4-7-24-21-10-20(6-9-25(21)35-34-24)38-18(3)27-22(29)12-31-13-23(27)30;1-17(27-21(29)15-31-16-22(27)30)38-19-8-11-25-20(13-19)23(33-34(25)26-5-3-4-12-37-26)9-6-18-7-10-24(32-14-18)28(35)36-2;1-3-18-15-10-14(28-13(2)21-16(22)11-24-12-17(21)23)7-8-19(15)26(25-18)20-6-4-5-9-27-20;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;1-6-9-10-7(2,3)8(4,5)11-9;1-11-7(10)6-3-2-5(8)4-9-6/h4-13,16-18,33H,14-15H2,1-3H3,(H,34,35);6-11,13-17,26H,3-5,12H2,1-2H3;3,7-8,10-13,20H,1,4-6,9H2,2H3;5-6,8-11,17H,2-4,7H2,1H3;6H,1H2,2-5H3;2-4H,1H3/b7-4+;9-6+;;;;/t16-,17+,18-;17-,26?;13-,20?;11-,17?;;/m1111../s1.

What are the key properties of 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate?

5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate has a molecular weight of 2411.48 g/mol, XLogP of 28.56, 24 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-ethenyl-1-(oxan-2-yl)indazole;[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-2-pyridinyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone;5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-1-(oxan-2-yl)indazole;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methyl 5-bromopyridine-2-carboxylate;methyl 5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]ethenyl]pyridine-2-carboxylate is sourced from PubChem (CID 164949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).