4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

C124H149ClF4IN21O14S4 — CID 123887914

About 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one

4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (PubChem CID 123887914) has the molecular formula C124H149ClF4IN21O14S4 and a molecular weight of 2524.31 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.

Molecular Properties

• Compound Name: 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
• PubChem CID: 123887914
• Molecular Formula: C124H149ClF4IN21O14S4
• Molecular Weight: 2524.31 g/mol
• Exact Mass: 2521.91
• IUPAC Name: 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
• SMILES: CCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Nc1ccc(O)c(F)c1
• InChI: InChI=1S/C32H37FN4O4S.C27H29FN4O2S.C26H30FN5O3S.C20H25ClN4O2S.C13H22IN3O2.C6H6FNO/c1-5-12-37(31(39)41-32(2,3)4)14-13-36-19-26(35-20-36)29-18-25-30(42-29)28(10-11-34-25)40-27-9-8-22(17-24(27)33)16-23(38)15-21-6-7-21;1-2-8-29-10-11-32-16-23(31-17-32)26-15-22-27(35-26)25(7-9-30-22)34-24-6-5-19(14-21(24)28)13-20(33)12-18-3-4-18;1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;7-5-3-4(8)1-2-6(5)9/h8-11,17-21H,5-7,12-16H2,1-4H3;5-7,9,14-18,29H,2-4,8,10-13H2,1H3;6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;9-10H,5-8H2,1-4H3;1-3,9H,8H2
• InChIKey: QHLWPIYRZICMEF-UHFFFAOYSA-N
• XLogP: 29.68
• TPSA: 404.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 43
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2524.31
LogP ≤ 5	29.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?

The IUPAC name of 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one (CID 123887914) is 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one.

What is the SMILES notation for 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?

The canonical SMILES for 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is CCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Nc1ccc(O)c(F)c1.

What is the InChIKey of 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?

The InChIKey is QHLWPIYRZICMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O4S.C27H29FN4O2S.C26H30FN5O3S.C20H25ClN4O2S.C13H22IN3O2.C6H6FNO/c1-5-12-37(31(39)41-32(2,3)4)14-13-36-19-26(35-20-36)29-18-25-30(42-29)28(10-11-34-25)40-27-9-8-22(17-24(27)33)16-23(38)15-21-6-7-21;1-2-8-29-10-11-32-16-23(31-17-32)26-15-22-27(35-26)25(7-9-30-22)34-24-6-5-19(14-21(24)28)13-20(33)12-18-3-4-18;1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;7-5-3-4(8)1-2-6(5)9/h8-11,17-21H,5-7,12-16H2,1-4H3;5-7,9,14-18,29H,2-4,8,10-13H2,1H3;6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;9-10H,5-8H2,1-4H3;1-3,9H,8H2.

What are the key properties of 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one?

4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one has a molecular weight of 2524.31 g/mol, XLogP of 29.68, 43 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-fluorophenol;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate;1-cyclopropyl-3-[3-fluoro-4-[2-[1-[2-(propylamino)ethyl]imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one is sourced from PubChem (CID 123887914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).