7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride

C92H102B2Br3Cl3F3N17O7S4 — CID 159950125

About 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride

7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride (PubChem CID 159950125) has the molecular formula C92H102B2Br3Cl3F3N17O7S4 and a molecular weight of 2110.90 g/mol. Its IUPAC name is 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride
• PubChem CID: 159950125
• Molecular Formula: C92H102B2Br3Cl3F3N17O7S4
• Molecular Weight: 2110.90 g/mol
• Exact Mass: 2105.38
• IUPAC Name: 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride
• SMILES: Brc1csc2c(-c3ccnc4c3C=CC4)nc(N3CCOCC3)nc12.C1COCCN1.CC(C)(O)C1CCN(Cc2csc3c(-c4ccnc5c4C=CC5)nc(N4CCOCC4)nc23)CC1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC1(C)OB(c2ccnc3c2C=CC3)OC1(C)C.Clc1nc(-c2ccnc3c2C=CC3)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.[F-]
• InChI: InChI=1S/C27H33N5O2S.C18H15BrN4OS.C14H18BNO2.C14H7BrClN3S.C9H18BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-27(2,33)19-7-10-31(11-8-19)16-18-17-35-25-23(18)29-26(32-12-14-34-15-13-32)30-24(25)21-6-9-28-22-5-3-4-20(21)22;19-13-10-25-17-15(12-4-5-20-14-3-1-2-11(12)14)21-18(22-16(13)17)23-6-8-24-9-7-23;1-13(2)14(3,4)18-15(17-13)11-8-9-16-12-7-5-6-10(11)12;15-9-6-20-13-11(18-14(16)19-12(9)13)8-4-5-17-10-3-1-2-7(8)10;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h3-4,6,9,17,19,33H,5,7-8,10-16H2,1-2H3;1-2,4-5,10H,3,6-9H2;5-6,8-9H,7H2,1-4H3;1-2,4-6H,3H2;8,14H,3-7H2,1-2H3;1H;5H,1-4H2;1H
• InChIKey: OBZQBZDXRDXONO-UHFFFAOYSA-N
• XLogP: 15.14
• TPSA: 267.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.90
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	4
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-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride?

The IUPAC name of 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride (CID 159950125) is 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride.

What is the SMILES notation for 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride?

The canonical SMILES for 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride is Brc1csc2c(-c3ccnc4c3C=CC4)nc(N3CCOCC3)nc12.C1COCCN1.CC(C)(O)C1CCN(Cc2csc3c(-c4ccnc5c4C=CC5)nc(N4CCOCC4)nc23)CC1.CC(C)(O)C1CC[NH+](CB(F)F)CC1.CC1(C)OB(c2ccnc3c2C=CC3)OC1(C)C.Clc1nc(-c2ccnc3c2C=CC3)c2scc(Br)c2n1.Clc1nc(Cl)c2scc(Br)c2n1.[F-].

What is the InChIKey of 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride?

The InChIKey is OBZQBZDXRDXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2S.C18H15BrN4OS.C14H18BNO2.C14H7BrClN3S.C9H18BF2NO.C6HBrCl2N2S.C4H9NO.FH/c1-27(2,33)19-7-10-31(11-8-19)16-18-17-35-25-23(18)29-26(32-12-14-34-15-13-32)30-24(25)21-6-9-28-22-5-3-4-20(21)22;19-13-10-25-17-15(12-4-5-20-14-3-1-2-11(12)14)21-18(22-16(13)17)23-6-8-24-9-7-23;1-13(2)14(3,4)18-15(17-13)11-8-9-16-12-7-5-6-10(11)12;15-9-6-20-13-11(18-14(16)19-12(9)13)8-4-5-17-10-3-1-2-7(8)10;1-9(2,14)8-3-5-13(6-4-8)7-10(11)12;7-2-1-12-4-3(2)10-6(9)11-5(4)8;1-3-6-4-2-5-1;/h3-4,6,9,17,19,33H,5,7-8,10-16H2,1-2H3;1-2,4-5,10H,3,6-9H2;5-6,8-9H,7H2,1-4H3;1-2,4-6H,3H2;8,14H,3-7H2,1-2H3;1H;5H,1-4H2;1H.

What are the key properties of 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride?

7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride has a molecular weight of 2110.90 g/mol, XLogP of 15.14, 12 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidine;4-[7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine;7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine;2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;2-[1-(difluoroboranylmethyl)piperidin-1-ium-4-yl]propan-2-ol;morpholine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine;fluoride is sourced from PubChem (CID 159950125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).