1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one

C133H124F8N12O13S4 — CID 159354510

About 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one

1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one (PubChem CID 159354510) has the molecular formula C133H124F8N12O13S4 and a molecular weight of 2378.78 g/mol. Its IUPAC name is 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one
• PubChem CID: 159354510
• Molecular Formula: C133H124F8N12O13S4
• Molecular Weight: 2378.78 g/mol
• Exact Mass: 2376.82
• IUPAC Name: 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one
• SMILES: CCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)o1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)nc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(F)(F)F)ccc5F)cc4F)c3s2)nc1.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)n1C
• InChI: InChI=1S/C36H34FNO4S.C35H35FN4O4S.C32H26F5N3O3S.C30H29FN4O2S/c1-3-4-5-6-26-12-14-30(41-26)32-22-28-35(43-32)31(15-18-38-28)42-29-13-11-25(19-27(29)37)21-34(40)36(16-17-36)33(39)20-24-9-7-23(2)8-10-24;1-22-4-6-23(7-5-22)17-31(41)35(11-12-35)32(42)18-24-8-9-28(26(36)16-24)44-29-10-13-38-27-19-30(45-33(27)29)34-39-21-25(40(34)2)20-37-14-15-43-3;1-42-11-10-38-17-20-2-6-26(40-18-20)30-16-27-31(44-30)29(8-9-39-27)43-28-7-3-19(13-25(28)34)12-23(41)15-21-14-22(32(35,36)37)4-5-24(21)33;1-3-9-32-17-21-4-6-25(35-18-21)29-15-26-30(38-29)28(8-10-33-26)37-27-7-5-20(13-24(27)31)12-23(36)14-22-11-19(2)16-34-22/h7-15,18-19,22H,3-6,16-17,20-21H2,1-2H3;4-10,13,16,19,21,37H,11-12,14-15,17-18,20H2,1-3H3;2-9,13-14,16,18,38H,10-12,15,17H2,1H3;4-8,10-11,13,15,18,32H,3,9,12,14,16-17H2,1-2H3
• InChIKey: LHTHOIPHRHNIRM-UHFFFAOYSA-N
• XLogP: 29.84
• TPSA: 314.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 50
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.78
LogP ≤ 5	29.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one?

The IUPAC name of 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one (CID 159354510) is 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one.

What is the SMILES notation for 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one?

The canonical SMILES for 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one is CCCCCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)o1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)nc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C(F)(F)F)ccc5F)cc4F)c3s2)nc1.COCCNCc1cnc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)n1C.

What is the InChIKey of 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one?

The InChIKey is LHTHOIPHRHNIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FNO4S.C35H35FN4O4S.C32H26F5N3O3S.C30H29FN4O2S/c1-3-4-5-6-26-12-14-30(41-26)32-22-28-35(43-32)31(15-18-38-28)42-29-13-11-25(19-27(29)37)21-34(40)36(16-17-36)33(39)20-24-9-7-23(2)8-10-24;1-22-4-6-23(7-5-22)17-31(41)35(11-12-35)32(42)18-24-8-9-28(26(36)16-24)44-29-10-13-38-27-19-30(45-33(27)29)34-39-21-25(40(34)2)20-37-14-15-43-3;1-42-11-10-38-17-20-2-6-26(40-18-20)30-16-27-31(44-30)29(8-9-39-27)43-28-7-3-19(13-25(28)34)12-23(41)15-21-14-22(32(35,36)37)4-5-24(21)33;1-3-9-32-17-21-4-6-25(35-18-21)29-15-26-30(38-29)28(8-10-33-26)37-27-7-5-20(13-24(27)31)12-23(36)14-22-11-19(2)16-34-22/h7-15,18-19,22H,3-6,16-17,20-21H2,1-2H3;4-10,13,16,19,21,37H,11-12,14-15,17-18,20H2,1-3H3;2-9,13-14,16,18,38H,10-12,15,17H2,1H3;4-8,10-11,13,15,18,32H,3,9,12,14,16-17H2,1-2H3.

What are the key properties of 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one?

1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one has a molecular weight of 2378.78 g/mol, XLogP of 29.84, 50 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-1-methylimidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-one;1-[1-[2-[3-fluoro-4-[2-(5-pentylfuran-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetyl]cyclopropyl]-2-(4-methylphenyl)ethanone;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(3-methyl-2H-pyrrol-5-yl)propan-2-one is sourced from PubChem (CID 159354510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).