7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C113H134B2Br3Cl3N22O16S6 — CID 159580954

About 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 159580954) has the molecular formula C113H134B2Br3Cl3N22O16S6 and a molecular weight of 2616.55 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• PubChem CID: 159580954
• Molecular Formula: C113H134B2Br3Cl3N22O16S6
• Molecular Weight: 2616.55 g/mol
• Exact Mass: 2610.55
• IUPAC Name: 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• SMILES: Brc1csc2c(-c3ccc4cnn(C5CCCCO5)c4c3)nc(N3CCOCC3)nc12.C1CCOCC1.CC.CC1(C)OB(c2ccc3cn[nH]c3c2)OC1(C)C.CC1(C)OB(c2ccc3cnn(C4CCCCO4)c3c2)OC1(C)C.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc5cnn(C6CCCCO6)c5c4)nc(N4CCOCC4)nc23)CC1.CS(=O)(=O)O.Clc1nc(-c2ccc3cnn(C4CCCCO4)c3c2)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1
• InChI: InChI=1S/C28H35N7O4S2.C22H22BrN5O2S.C18H25BN2O3.C18H14BrClN4OS.C13H17BN2O2.C6HBrCl2N2S.C5H10O.C2H6.CH4O3S/c1-41(36,37)34-9-7-32(8-10-34)18-22-19-40-27-25(30-28(31-26(22)27)33-11-14-38-15-12-33)20-5-6-21-17-29-35(23(21)16-20)24-4-2-3-13-39-24;23-16-13-31-21-19(25-22(26-20(16)21)27-6-9-29-10-7-27)14-4-5-15-12-24-28(17(15)11-14)18-3-1-2-8-30-18;1-17(2)18(3,4)24-19(23-17)14-9-8-13-12-20-21(15(13)11-14)16-7-5-6-10-22-16;19-12-9-26-17-15(22-18(20)23-16(12)17)10-4-5-11-8-21-24(13(11)7-10)14-3-1-2-6-25-14;1-12(2)13(3,4)18-14(17-12)10-6-5-9-8-15-16-11(9)7-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-2-4-6-5-3-1;1-2;1-5(2,3)4/h5-6,16-17,19,24H,2-4,7-15,18H2,1H3;4-5,11-13,18H,1-3,6-10H2;8-9,11-12,16H,5-7,10H2,1-4H3;4-5,7-9,14H,1-3,6H2;5-8H,1-4H3,(H,15,16);1H;1-5H2;1-2H3;1H3,(H,2,3,4)
• InChIKey: NOHHEYXYCYEBLP-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 406.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.55
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The IUPAC name of 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 159580954) is 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

What is the SMILES notation for 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The canonical SMILES for 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is Brc1csc2c(-c3ccc4cnn(C5CCCCO5)c4c3)nc(N3CCOCC3)nc12.C1CCOCC1.CC.CC1(C)OB(c2ccc3cn[nH]c3c2)OC1(C)C.CC1(C)OB(c2ccc3cnn(C4CCCCO4)c3c2)OC1(C)C.CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc5cnn(C6CCCCO6)c5c4)nc(N4CCOCC4)nc23)CC1.CS(=O)(=O)O.Clc1nc(-c2ccc3cnn(C4CCCCO4)c3c2)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.

What is the InChIKey of 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The InChIKey is NOHHEYXYCYEBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O4S2.C22H22BrN5O2S.C18H25BN2O3.C18H14BrClN4OS.C13H17BN2O2.C6HBrCl2N2S.C5H10O.C2H6.CH4O3S/c1-41(36,37)34-9-7-32(8-10-34)18-22-19-40-27-25(30-28(31-26(22)27)33-11-14-38-15-12-33)20-5-6-21-17-29-35(23(21)16-20)24-4-2-3-13-39-24;23-16-13-31-21-19(25-22(26-20(16)21)27-6-9-29-10-7-27)14-4-5-15-12-24-28(17(15)11-14)18-3-1-2-8-30-18;1-17(2)18(3,4)24-19(23-17)14-9-8-13-12-20-21(15(13)11-14)16-7-5-6-10-22-16;19-12-9-26-17-15(22-18(20)23-16(12)17)10-4-5-11-8-21-24(13(11)7-10)14-3-1-2-6-25-14;1-12(2)13(3,4)18-14(17-12)10-6-5-9-8-15-16-11(9)7-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-2-4-6-5-3-1;1-2;1-5(2,3)4/h5-6,16-17,19,24H,2-4,7-15,18H2,1H3;4-5,11-13,18H,1-3,6-10H2;8-9,11-12,16H,5-7,10H2,1-4H3;4-5,7-9,14H,1-3,6H2;5-8H,1-4H3,(H,15,16);1H;1-5H2;1-2H3;1H3,(H,2,3,4).

What are the key properties of 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 2616.55 g/mol, XLogP of 24.52, 14 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;ethane;methanesulfonic acid;4-[7-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-[1-(oxan-2-yl)indazol-6-yl]thieno[3,2-d]pyrimidin-2-yl]morpholine;oxane;1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 159580954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).