7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C78H97BBr3Cl3F3N21O9S4 — CID 158285917

About 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158285917) has the molecular formula C78H97BBr3Cl3F3N21O9S4 and a molecular weight of 2014.92 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158285917
• Molecular Formula: C78H97BBr3Cl3F3N21O9S4
• Molecular Weight: 2014.92 g/mol
• Exact Mass: 2009.33
• IUPAC Name: 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: C1COCCN1.Cc1nn(C)c(C)c1-c1nc(Cl)nc2c(Br)csc12.Cc1nn(C)c(C)c1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1nn(C)c(C)c1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H37N7O3S.C16H18BrN5OS.C12H21BN2O2.C12H10BrClN4S.C6HBrCl2N2S.C4H9NO.C2HF3O2/c1-17-20(18(2)30(6)29-17)22-23-21(27-24(28-22)32-11-13-35-14-12-32)19(16-37-23)15-31-7-9-33(10-8-31)25(34)36-26(3,4)5;1-9-12(10(2)21(3)20-9)14-15-13(11(17)8-24-15)18-16(19-14)22-4-6-23-7-5-22;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-5-8(6(2)18(3)17-5)10-11-9(7(13)4-19-11)15-12(14)16-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h16H,7-15H2,1-6H3;8H,4-7H2,1-3H3;1-7H3;4H,1-3H3;1H;5H,1-4H2;(H,6,7)
• InChIKey: FWEIVGNUIGHDJZ-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 309.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 8
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.92
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158285917) is 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C1COCCN1.Cc1nn(C)c(C)c1-c1nc(Cl)nc2c(Br)csc12.Cc1nn(C)c(C)c1-c1nc(N2CCOCC2)nc2c(Br)csc12.Cc1nn(C)c(C)c1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)OC(C)(C)C)CC3)csc12.Cc1nn(C)c(C)c1B1OC(C)(C)C(C)(C)O1.Clc1nc(Cl)c2scc(Br)c2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is FWEIVGNUIGHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3S.C16H18BrN5OS.C12H21BN2O2.C12H10BrClN4S.C6HBrCl2N2S.C4H9NO.C2HF3O2/c1-17-20(18(2)30(6)29-17)22-23-21(27-24(28-22)32-11-13-35-14-12-32)19(16-37-23)15-31-7-9-33(10-8-31)25(34)36-26(3,4)5;1-9-12(10(2)21(3)20-9)14-15-13(11(17)8-24-15)18-16(19-14)22-4-6-23-7-5-22;1-8-10(9(2)15(7)14-8)13-16-11(3,4)12(5,6)17-13;1-5-8(6(2)18(3)17-5)10-11-9(7(13)4-19-11)15-12(14)16-10;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;3-2(4,5)1(6)7/h16H,7-15H2,1-6H3;8H,4-7H2,1-3H3;1-7H3;4H,1-3H3;1H;5H,1-4H2;(H,6,7).

What are the key properties of 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2014.92 g/mol, XLogP of 16.37, 8 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[2-morpholin-4-yl-4-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;morpholine;2,2,2-trifluoroacetic acid;1,3,5-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158285917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).