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

C70H81BBr3Cl3F3N21O9S4 — CID 159670068

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

7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid (PubChem CID 159670068) has the molecular formula C70H81BBr3Cl3F3N21O9S4 and a molecular weight of 1902.70 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid
• PubChem CID: 159670068
• Molecular Formula: C70H81BBr3Cl3F3N21O9S4
• Molecular Weight: 1902.70 g/mol
• Exact Mass: 1897.21
• IUPAC Name: 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid
• SMILES: C1COCCN1.Clc1nc(Cl)c2scc(Br)c2n1.Cn1cc(-c2nc(Cl)nc3c(Br)csc23)cn1.Cn1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.Cn1cc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H33N7O3S.C14H14BrN5OS.C10H17BN2O2.C10H6BrClN4S.C6HBrCl2N2S.C4H9NO.C2HF3O2/c1-24(2,3)34-23(32)31-7-5-29(6-8-31)15-18-16-35-21-19(17-13-25-28(4)14-17)26-22(27-20(18)21)30-9-11-33-12-10-30;1-19-7-9(6-16-19)11-13-12(10(15)8-22-13)18-14(17-11)20-2-4-21-5-3-20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-16-3-5(2-13-16)7-9-8(6(11)4-17-9)15-10(12)14-7;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/h13-14,16H,5-12,15H2,1-4H3;6-8H,2-5H2,1H3;6-7H,1-5H3;2-4H,1H3;1H;5H,1-4H2;(H,6,7)
• InChIKey: YPXXRQIOLAJLPA-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 309.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1902.70
LogP ≤ 5	13.90
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-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid?

The IUPAC name of 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid (CID 159670068) is 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for 7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid is C1COCCN1.Clc1nc(Cl)c2scc(Br)c2n1.Cn1cc(-c2nc(Cl)nc3c(Br)csc23)cn1.Cn1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cn1.Cn1cc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)OC(C)(C)C)CC4)csc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C(O)C(F)(F)F.

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

The InChIKey is YPXXRQIOLAJLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3S.C14H14BrN5OS.C10H17BN2O2.C10H6BrClN4S.C6HBrCl2N2S.C4H9NO.C2HF3O2/c1-24(2,3)34-23(32)31-7-5-29(6-8-31)15-18-16-35-21-19(17-13-25-28(4)14-17)26-22(27-20(18)21)30-9-11-33-12-10-30;1-19-7-9(6-16-19)11-13-12(10(15)8-22-13)18-14(17-11)20-2-4-21-5-3-20;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-16-3-5(2-13-16)7-9-8(6(11)4-17-9)15-10(12)14-7;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/h13-14,16H,5-12,15H2,1-4H3;6-8H,2-5H2,1H3;6-7H,1-5H3;2-4H,1H3;1H;5H,1-4H2;(H,6,7).

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

7-bromo-2-chloro-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 1902.70 g/mol, XLogP of 13.90, 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-methylpyrazol-4-yl)thieno[3,2-d]pyrimidine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;4-[7-bromo-4-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;tert-butyl 4-[[4-(1-methylpyrazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazine-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159670068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).