6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C109H141B3Br3ClN22O11 — CID 160841987

About 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160841987) has the molecular formula C109H141B3Br3ClN22O11 and a molecular weight of 2243.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 160841987
• Molecular Formula: C109H141B3Br3ClN22O11
• Molecular Weight: 2243.07 g/mol
• Exact Mass: 2238.87
• IUPAC Name: 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)NCC2.Brc1ccc2cc[nH]c2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCN(CC(=O)N2CCc3ccc(-c4nccc(Nc5ccc6[nH]ncc6c5)n4)cc32)CC1.CN1CCN(CC(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CC1.CN1CCN(CC(=O)N2CCc3ccc(Br)cc32)CC1.CN1CCN(CC(=O)O)CC1.Clc1nccc(Nc2ccc3c(c2)C=NC3)n1
• InChI: InChI=1S/C26H28N8O.C21H32BN3O3.C15H20BrN3O.C12H24B2O4.C12H9ClN4.C8H8BrN.C8H6BrN.C7H14N2O2/c1-32-10-12-33(13-11-32)17-25(35)34-9-7-18-2-3-19(15-23(18)34)26-27-8-6-24(30-26)29-21-4-5-22-20(14-21)16-28-31-22;1-20(2)21(3,4)28-22(27-20)17-7-6-16-8-9-25(18(16)14-17)19(26)15-24-12-10-23(5)11-13-24;1-17-6-8-18(9-7-17)11-15(20)19-5-4-12-2-3-13(16)10-14(12)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-15-4-3-11(17-12)16-10-2-1-8-6-14-7-9(8)5-10;2*9-7-2-1-6-3-4-10-8(6)5-7;1-8-2-4-9(5-3-8)6-7(10)11/h2-6,8,14-16H,7,9-13,17H2,1H3,(H,28,31)(H,27,29,30);6-7,14H,8-13,15H2,1-5H3;2-3,10H,4-9,11H2,1H3;1-8H3;1-5,7H,6H2,(H,15,16,17);1-2,5,10H,3-4H2;1-5,10H;2-6H2,1H3,(H,10,11)
• InChIKey: SIDPZLUHXOVQAF-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 324.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.07
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160841987) is 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2c(c1)NCC2.Brc1ccc2cc[nH]c2c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCN(CC(=O)N2CCc3ccc(-c4nccc(Nc5ccc6[nH]ncc6c5)n4)cc32)CC1.CN1CCN(CC(=O)N2CCc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CC1.CN1CCN(CC(=O)N2CCc3ccc(Br)cc32)CC1.CN1CCN(CC(=O)O)CC1.Clc1nccc(Nc2ccc3c(c2)C=NC3)n1.

What is the InChIKey of 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is SIDPZLUHXOVQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O.C21H32BN3O3.C15H20BrN3O.C12H24B2O4.C12H9ClN4.C8H8BrN.C8H6BrN.C7H14N2O2/c1-32-10-12-33(13-11-32)17-25(35)34-9-7-18-2-3-19(15-23(18)34)26-27-8-6-24(30-26)29-21-4-5-22-20(14-21)16-28-31-22;1-20(2)21(3,4)28-22(27-20)17-7-6-16-8-9-25(18(16)14-17)19(26)15-24-12-10-23(5)11-13-24;1-17-6-8-18(9-7-17)11-15(20)19-5-4-12-2-3-13(16)10-14(12)19;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12-15-4-3-11(17-12)16-10-2-1-8-6-14-7-9(8)5-10;2*9-7-2-1-6-3-4-10-8(6)5-7;1-8-2-4-9(5-3-8)6-7(10)11/h2-6,8,14-16H,7,9-13,17H2,1H3,(H,28,31)(H,27,29,30);6-7,14H,8-13,15H2,1-5H3;2-3,10H,4-9,11H2,1H3;1-8H3;1-5,7H,6H2,(H,15,16,17);1-2,5,10H,3-4H2;1-5,10H;2-6H2,1H3,(H,10,11).

What are the key properties of 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2243.07 g/mol, XLogP of 15.33, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2,3-dihydro-1H-indole;1-(6-bromo-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;6-bromo-1H-indole;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160841987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).