4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C50H50BCl4N13O5S3 — CID 157355735

About 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 157355735) has the molecular formula C50H50BCl4N13O5S3 and a molecular weight of 1161.86 g/mol. Its IUPAC name is 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

• Compound Name: 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• PubChem CID: 157355735
• Molecular Formula: C50H50BCl4N13O5S3
• Molecular Weight: 1161.86 g/mol
• Exact Mass: 1159.21
• IUPAC Name: 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
• SMILES: CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C.Clc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.Clc1nc(N2CCOCC2)c2sc(Cl)cc2n1.Clc1nc(N2CCOCC2)c2sccc2n1
• InChI: InChI=1S/C17H14ClN5OS.C13H17BN2O2.C10H9Cl2N3OS.C10H10ClN3OS/c18-14-8-13-15(25-14)17(23-4-6-24-7-5-23)21-16(20-13)10-2-1-3-12-11(10)9-19-22-12;1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11;11-7-5-6-8(17-7)9(14-10(12)13-6)15-1-3-16-4-2-15;11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14/h1-3,8-9H,4-7H2,(H,19,22);5-8H,1-4H3,(H,15,16);5H,1-4H2;1,6H,2-5H2
• InChIKey: BIBFPXFVMMNJGB-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 190.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.86
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The IUPAC name of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 157355735) is 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

What is the SMILES notation for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The canonical SMILES for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is CC1(C)OB(c2cccc3[nH]ncc23)OC1(C)C.Clc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.Clc1nc(N2CCOCC2)c2sc(Cl)cc2n1.Clc1nc(N2CCOCC2)c2sccc2n1.

What is the InChIKey of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

The InChIKey is BIBFPXFVMMNJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS.C13H17BN2O2.C10H9Cl2N3OS.C10H10ClN3OS/c18-14-8-13-15(25-14)17(23-4-6-24-7-5-23)21-16(20-13)10-2-1-3-12-11(10)9-19-22-12;1-12(2)13(3,4)18-14(17-12)10-6-5-7-11-9(10)8-15-16-11;11-7-5-6-8(17-7)9(14-10(12)13-6)15-1-3-16-4-2-15;11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14/h1-3,8-9H,4-7H2,(H,19,22);5-8H,1-4H3,(H,15,16);5H,1-4H2;1,6H,2-5H2.

What are the key properties of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 1161.86 g/mol, XLogP of 10.60, 5 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine;4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(2,6-dichlorothieno[3,2-d]pyrimidin-4-yl)morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 157355735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).