cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol

C133H165F4N19O29S4 — CID 158869375

About cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol

cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 158869375) has the molecular formula C133H165F4N19O29S4 and a molecular weight of 2698.15 g/mol. Its IUPAC name is cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 158869375
• Molecular Formula: C133H165F4N19O29S4
• Molecular Weight: 2698.15 g/mol
• Exact Mass: 2696.08
• IUPAC Name: cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol
• SMILES: COCCOCCOCCOCCN.COCCOCCOCCOCCN.COCCOCCOCCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1.COCCOCCOCCOCCO.NC1CC1.Nc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCCO5)cn4)sc23)c(F)c1.O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCCO5)cn4)sc23)c(F)c1)NC1CC1.O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1
• InChI: InChI=1S/C32H38FN5O6S.C26H23FN4O4S.C23H17FN4O3S.C22H18FN3O3S.2C9H21NO4.C9H20O5.C3H7N/c1-40-12-13-42-16-17-43-15-14-41-11-10-34-20-22-2-6-26(36-21-22)30-19-27-31(45-30)29(8-9-35-27)44-28-7-5-24(18-25(28)33)38-32(39)37-23-3-4-23;27-18-12-17(31-26(32)30-16-3-4-16)5-7-21(18)35-22-8-9-28-20-13-23(36-24(20)22)19-6-2-15(14-29-19)25-33-10-1-11-34-25;24-16-9-15(28-23(30)27-14-2-3-14)4-6-19(16)31-20-7-8-25-18-10-21(32-22(18)20)17-5-1-13(12-29)11-26-17;23-15-10-14(24)3-5-18(15)29-19-6-7-25-17-11-20(30-21(17)19)16-4-2-13(12-26-16)22-27-8-1-9-28-22;3*1-11-4-5-13-8-9-14-7-6-12-3-2-10;4-3-1-2-3/h2,5-9,18-19,21,23,34H,3-4,10-17,20H2,1H3,(H2,37,38,39);2,5-9,12-14,16,25H,1,3-4,10-11H2,(H2,30,31,32);1,4-12,14H,2-3H2,(H2,27,28,30);2-7,10-12,22H,1,8-9,24H2;2*2-10H2,1H3;10H,2-9H2,1H3;3H,1-2,4H2
• InChIKey: JBQMPEVFNOQBET-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 601.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 68
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.15
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol (CID 158869375) is cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol.

What is the SMILES notation for cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?

The canonical SMILES for cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol is COCCOCCOCCOCCN.COCCOCCOCCOCCN.COCCOCCOCCOCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1.COCCOCCOCCOCCO.NC1CC1.Nc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCCO5)cn4)sc23)c(F)c1.O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(C5OCCCO5)cn4)sc23)c(F)c1)NC1CC1.O=Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)nc1.

What is the InChIKey of cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?

The InChIKey is JBQMPEVFNOQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN5O6S.C26H23FN4O4S.C23H17FN4O3S.C22H18FN3O3S.2C9H21NO4.C9H20O5.C3H7N/c1-40-12-13-42-16-17-43-15-14-41-11-10-34-20-22-2-6-26(36-21-22)30-19-27-31(45-30)29(8-9-35-27)44-28-7-5-24(18-25(28)33)38-32(39)37-23-3-4-23;27-18-12-17(31-26(32)30-16-3-4-16)5-7-21(18)35-22-8-9-28-20-13-23(36-24(20)22)19-6-2-15(14-29-19)25-33-10-1-11-34-25;24-16-9-15(28-23(30)27-14-2-3-14)4-6-19(16)31-20-7-8-25-18-10-21(32-22(18)20)17-5-1-13(12-29)11-26-17;23-15-10-14(24)3-5-18(15)29-19-6-7-25-17-11-20(30-21(17)19)16-4-2-13(12-26-16)22-27-8-1-9-28-22;3*1-11-4-5-13-8-9-14-7-6-12-3-2-10;4-3-1-2-3/h2,5-9,18-19,21,23,34H,3-4,10-17,20H2,1H3,(H2,37,38,39);2,5-9,12-14,16,25H,1,3-4,10-11H2,(H2,30,31,32);1,4-12,14H,2-3H2,(H2,27,28,30);2-7,10-12,22H,1,8-9,24H2;2*2-10H2,1H3;10H,2-9H2,1H3;3H,1-2,4H2.

What are the key properties of cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol?

cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 2698.15 g/mol, XLogP of 21.13, 68 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanamine;1-cyclopropyl-3-[4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-(5-formyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;1-cyclopropyl-3-[3-fluoro-4-[2-[5-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea;4-[2-[5-(1,3-dioxan-2-yl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluoroaniline;bis(2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine);2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 158869375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).