7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide

C82H102B2Br3Cl3F3N17O9S4 — CID 160523538

About 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide

7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide (PubChem CID 160523538) has the molecular formula C82H102B2Br3Cl3F3N17O9S4 and a molecular weight of 2022.78 g/mol. Its IUPAC name is 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide
• PubChem CID: 160523538
• Molecular Formula: C82H102B2Br3Cl3F3N17O9S4
• Molecular Weight: 2022.78 g/mol
• Exact Mass: 2017.37
• IUPAC Name: 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide
• SMILES: C1COCCN1.CC1(C)OB(c2cccc3c2cnn3C2CCCCO2)OC1(C)C.CC1CCCO1.CS(=O)(=O)N1CC[NH+](C[B-](F)(F)F)CC1.Cc1sc2c(-c3cccc4c3cnn4C3CCCCO3)nc(Cl)nc2c1Br.Cc1sc2c(-c3cccc4c3cnn4C3CCCCO3)nc(N3CCNCC3)nc2c1Br.Cc1sc2c(Cl)nc(Cl)nc2c1Br
• InChI: InChI=1S/C23H25BrN6OS.C19H16BrClN4OS.C18H25BN2O3.C7H3BrCl2N2S.C6H13BF3N2O2S.C5H10O.C4H9NO/c1-14-19(24)21-22(32-14)20(27-23(28-21)29-10-8-25-9-11-29)15-5-4-6-17-16(15)13-26-30(17)18-7-2-3-12-31-18;1-10-15(20)17-18(27-10)16(23-19(21)24-17)11-5-4-6-13-12(11)9-22-25(13)14-7-2-3-8-26-14;1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-15(13,14)12-4-2-11(3-5-12)6-7(8,9)10;1-5-3-2-4-6-5;1-3-6-4-2-5-1/h4-6,13,18,25H,2-3,7-12H2,1H3;4-6,9,14H,2-3,7-8H2,1H3;7-9,12,16H,5-6,10-11H2,1-4H3;1H3;2-6H2,1H3;5H,2-4H2,1H3;5H,1-4H2/q;;;;-1;;/p+1
• InChIKey: QUPFGTWQJZQKOE-UHFFFAOYSA-O
• XLogP: 17.45
• TPSA: 264.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 10
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.78
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	3
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 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide?

The IUPAC name of 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide (CID 160523538) is 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide.

What is the SMILES notation for 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide?

The canonical SMILES for 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide is C1COCCN1.CC1(C)OB(c2cccc3c2cnn3C2CCCCO2)OC1(C)C.CC1CCCO1.CS(=O)(=O)N1CC[NH+](C[B-](F)(F)F)CC1.Cc1sc2c(-c3cccc4c3cnn4C3CCCCO3)nc(Cl)nc2c1Br.Cc1sc2c(-c3cccc4c3cnn4C3CCCCO3)nc(N3CCNCC3)nc2c1Br.Cc1sc2c(Cl)nc(Cl)nc2c1Br.

What is the InChIKey of 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide?

The InChIKey is QUPFGTWQJZQKOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25BrN6OS.C19H16BrClN4OS.C18H25BN2O3.C7H3BrCl2N2S.C6H13BF3N2O2S.C5H10O.C4H9NO/c1-14-19(24)21-22(32-14)20(27-23(28-21)29-10-8-25-9-11-29)15-5-4-6-17-16(15)13-26-30(17)18-7-2-3-12-31-18;1-10-15(20)17-18(27-10)16(23-19(21)24-17)11-5-4-6-13-12(11)9-22-25(13)14-7-2-3-8-26-14;1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16;1-2-3(8)4-5(13-2)6(9)12-7(10)11-4;1-15(13,14)12-4-2-11(3-5-12)6-7(8,9)10;1-5-3-2-4-6-5;1-3-6-4-2-5-1/h4-6,13,18,25H,2-3,7-12H2,1H3;4-6,9,14H,2-3,7-8H2,1H3;7-9,12,16H,5-6,10-11H2,1-4H3;1H3;2-6H2,1H3;5H,2-4H2,1H3;5H,1-4H2/q;;;;-1;;/p+1.

What are the key properties of 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide?

7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide has a molecular weight of 2022.78 g/mol, XLogP of 17.45, 10 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidine;7-bromo-2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;7-bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine;2-methyloxolane;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;trifluoro-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]boranuide is sourced from PubChem (CID 160523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).