1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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

C158H151F5N16O14S5 — CID 161389644

About 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 161389644) has the molecular formula C158H151F5N16O14S5 and a molecular weight of 2753.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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: 161389644
• Molecular Formula: C158H151F5N16O14S5
• Molecular Weight: 2753.37 g/mol
• Exact Mass: 2751.01
• IUPAC Name: 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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: CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C)on5)cc4F)c3s2)o1
• InChI: InChI=1S/2C36H34FN3O3S.C30H29FN4O2S.C28H26FN3O4S.C28H28FN3O2S/c2*1-3-15-38-21-26-8-10-28(40-22-26)32-20-29-35(44-32)31(12-16-39-29)43-30-11-9-25(17-27(30)37)19-34(42)36(13-14-36)33(41)18-24-6-4-23(2)5-7-24;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;1-3-9-30-16-21-5-7-25(34-21)27-15-23-28(37-27)26(8-10-31-23)35-24-6-4-18(13-22(24)29)12-20(33)14-19-11-17(2)36-32-19;1-2-10-30-16-20-5-7-23(32-17-20)27-15-24-28(35-27)26(9-11-31-24)34-25-8-6-19(14-22(25)29)13-21(33)12-18-3-4-18/h2*4-12,16-17,20,22,38H,3,13-15,18-19,21H2,1-2H3;4-8,10-11,13,15,18,32H,3,9,12,14,16-17H2,1-2H3;4-8,10-11,13,15,30H,3,9,12,14,16H2,1-2H3;5-9,11,14-15,17-18,30H,2-4,10,12-13,16H2,1H3
• InChIKey: VSUVPPDJOCKPAF-UHFFFAOYSA-N
• XLogP: 35.63
• TPSA: 393.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 59
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2753.37
LogP ≤ 5	35.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 161389644) is 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)C5(C(=O)Cc6ccc(C)cc6)CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5=NCC(C)=C5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)nc1.CCCNCc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cc(C)on5)cc4F)c3s2)o1.

What is the InChIKey of 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 VSUVPPDJOCKPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H34FN3O3S.C30H29FN4O2S.C28H26FN3O4S.C28H28FN3O2S/c2*1-3-15-38-21-26-8-10-28(40-22-26)32-20-29-35(44-32)31(12-16-39-29)43-30-11-9-25(17-27(30)37)19-34(42)36(13-14-36)33(41)18-24-6-4-23(2)5-7-24;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;1-3-9-30-16-21-5-7-25(34-21)27-15-23-28(37-27)26(8-10-31-23)35-24-6-4-18(13-22(24)29)12-20(33)14-19-11-17(2)36-32-19;1-2-10-30-16-20-5-7-23(32-17-20)27-15-24-28(35-27)26(9-11-31-24)34-25-8-6-19(14-22(25)29)13-21(33)12-18-3-4-18/h2*4-12,16-17,20,22,38H,3,13-15,18-19,21H2,1-2H3;4-8,10-11,13,15,18,32H,3,9,12,14,16-17H2,1-2H3;4-8,10-11,13,15,30H,3,9,12,14,16H2,1-2H3;5-9,11,14-15,17-18,30H,2-4,10,12-13,16H2,1H3.

What are the key properties of 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 2753.37 g/mol, XLogP of 35.63, 59 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-[3-fluoro-4-[2-[5-(propylaminomethyl)furan-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;bis(1-[1-[2-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]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 161389644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).