4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one

C126H125F8N13O9S4 — CID 162241435

About 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one

4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one (PubChem CID 162241435) has the molecular formula C126H125F8N13O9S4 and a molecular weight of 2245.72 g/mol. Its IUPAC name is 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one.

Molecular Properties

• Compound Name: 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one
• PubChem CID: 162241435
• Molecular Formula: C126H125F8N13O9S4
• Molecular Weight: 2245.72 g/mol
• Exact Mass: 2243.85
• IUPAC Name: 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one
• SMILES: CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCCC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CCc5ccccc5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N(C)c5cc(C(F)(F)F)ccc5F)cc4F)c3s2)nc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CCC5CCCCC5)cc4F)c3s2)nc1
• InChI: InChI=1S/C32H27F5N4O2S.C32H36FN3O3S.C32H30FN3O2S.C30H32FN3O2S/c1-3-11-38-17-20-4-8-24(40-18-20)29-16-25-31(44-29)28(10-12-39-25)43-27-9-5-19(13-23(27)34)14-30(42)41(2)26-15-21(32(35,36)37)6-7-22(26)33;1-38-16-15-34-20-24-8-11-27(36-21-24)31-19-28-32(40-31)30(13-14-35-28)39-29-12-9-23(18-26(29)33)17-25(37)10-7-22-5-3-2-4-6-22;1-2-15-34-20-24-9-12-27(36-21-24)31-19-28-32(39-31)30(14-16-35-28)38-29-13-10-23(18-26(29)33)17-25(37)11-8-22-6-4-3-5-7-22;1-2-12-32-18-22-7-9-25(34-19-22)29-17-26-30(37-29)28(11-13-33-26)36-27-10-8-21(16-24(27)31)15-23(35)14-20-5-3-4-6-20/h4-10,12-13,15-16,18,38H,3,11,14,17H2,1-2H3;8-9,11-14,18-19,21-22,34H,2-7,10,15-17,20H2,1H3;3-7,9-10,12-14,16,18-19,21,34H,2,8,11,15,17,20H2,1H3;7-11,13,16-17,19-20,32H,2-6,12,14-15,18H2,1H3
• InChIKey: ZWTIRELLMVCNAN-UHFFFAOYSA-N
• XLogP: 30.67
• TPSA: 268.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 46
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2245.72
LogP ≤ 5	30.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one?

The IUPAC name of 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one (CID 162241435) is 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one.

What is the SMILES notation for 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one?

The canonical SMILES for 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one is CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCCC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CCc5ccccc5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)N(C)c5cc(C(F)(F)F)ccc5F)cc4F)c3s2)nc1.COCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CCC5CCCCC5)cc4F)c3s2)nc1.

What is the InChIKey of 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one?

The InChIKey is ZWTIRELLMVCNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F5N4O2S.C32H36FN3O3S.C32H30FN3O2S.C30H32FN3O2S/c1-3-11-38-17-20-4-8-24(40-18-20)29-16-25-31(44-29)28(10-12-39-25)43-27-9-5-19(13-23(27)34)14-30(42)41(2)26-15-21(32(35,36)37)6-7-22(26)33;1-38-16-15-34-20-24-8-11-27(36-21-24)31-19-28-32(40-31)30(13-14-35-28)39-29-12-9-23(18-26(29)33)17-25(37)10-7-22-5-3-2-4-6-22;1-2-15-34-20-24-9-12-27(36-21-24)31-19-28-32(39-31)30(14-16-35-28)38-29-13-10-23(18-26(29)33)17-25(37)11-8-22-6-4-3-5-7-22;1-2-12-32-18-22-7-9-25(34-19-22)29-17-26-30(37-29)28(11-13-33-26)36-27-10-8-21(16-24(27)31)15-23(35)14-20-5-3-4-6-20/h4-10,12-13,15-16,18,38H,3,11,14,17H2,1-2H3;8-9,11-14,18-19,21-22,34H,2-7,10,15-17,20H2,1H3;3-7,9-10,12-14,16,18-19,21,34H,2,8,11,15,17,20H2,1H3;7-11,13,16-17,19-20,32H,2-6,12,14-15,18H2,1H3.

What are the key properties of 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one?

4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one has a molecular weight of 2245.72 g/mol, XLogP of 30.67, 46 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-1-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]butan-2-one;1-cyclopentyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylacetamide;1-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbutan-2-one is sourced from PubChem (CID 162241435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).