cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane

C130H137F5N24O18S5 — CID 157319294

About cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane

cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane (PubChem CID 157319294) has the molecular formula C130H137F5N24O18S5 and a molecular weight of 2579.00 g/mol. Its IUPAC name is cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane.

Molecular Properties

• Compound Name: cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane
• PubChem CID: 157319294
• Molecular Formula: C130H137F5N24O18S5
• Molecular Weight: 2579.00 g/mol
• Exact Mass: 2576.91
• IUPAC Name: cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane
• SMILES: C1CCOCC1.CC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(CN5CCOCC5)n4C)sc23)c(F)c1.CC(C)N=C=O.Cn1c(C=O)cnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.NC1CC1
• InChI: InChI=1S/C28H29FN4O3S.C28H31FN4O3S.C22H20FN5O4S.C22H22FN5O2S.C18H11FN4O4S.C5H10O.C4H7NO.C3H7N/c1-32-20(17-33-8-10-35-11-9-33)16-31-28(32)26-15-23-27(37-26)25(6-7-30-23)36-24-5-4-19(14-22(24)29)13-21(34)12-18-2-3-18;1-18(2)12-21(34)13-19-4-5-24(22(29)14-19)36-25-6-7-30-23-15-26(37-27(23)25)28-31-16-20(32(28)3)17-33-8-10-35-11-9-33;1-26-15(13-27-6-8-31-9-7-27)12-25-22(26)20-11-17-21(33-20)19(4-5-24-17)32-18-3-2-14(28(29)30)10-16(18)23;1-27-15(13-28-6-8-29-9-7-28)12-26-22(27)20-11-17-21(31-20)19(4-5-25-17)30-18-3-2-14(24)10-16(18)23;1-22-11(9-24)8-21-18(22)16-7-13-17(28-16)15(4-5-20-13)27-14-3-2-10(23(25)26)6-12(14)19;1-2-4-6-5-3-1;1-4(2)5-3-6;4-3-1-2-3/h4-7,14-16,18H,2-3,8-13,17H2,1H3;4-7,14-16,18H,8-13,17H2,1-3H3;2-5,10-12H,6-9,13H2,1H3;2-5,10-12H,6-9,13,24H2,1H3;2-9H,1H3;1-5H2;4H,1-2H3;3H,1-2,4H2
• InChIKey: BDZAWHHELWIKRK-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 477.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.00
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane?

The IUPAC name of cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane (CID 157319294) is cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane.

What is the SMILES notation for cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane?

The canonical SMILES for cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane is C1CCOCC1.CC(C)CC(=O)Cc1ccc(Oc2ccnc3cc(-c4ncc(CN5CCOCC5)n4C)sc23)c(F)c1.CC(C)N=C=O.Cn1c(C=O)cnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc(N)cc3F)c2s1.Cn1c(CN2CCOCC2)cnc1-c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.NC1CC1.

What is the InChIKey of cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane?

The InChIKey is BDZAWHHELWIKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3S.C28H31FN4O3S.C22H20FN5O4S.C22H22FN5O2S.C18H11FN4O4S.C5H10O.C4H7NO.C3H7N/c1-32-20(17-33-8-10-35-11-9-33)16-31-28(32)26-15-23-27(37-26)25(6-7-30-23)36-24-5-4-19(14-22(24)29)13-21(34)12-18-2-3-18;1-18(2)12-21(34)13-19-4-5-24(22(29)14-19)36-25-6-7-30-23-15-26(37-27(23)25)28-31-16-20(32(28)3)17-33-8-10-35-11-9-33;1-26-15(13-27-6-8-31-9-7-27)12-25-22(26)20-11-17-21(33-20)19(4-5-24-17)32-18-3-2-14(28(29)30)10-16(18)23;1-27-15(13-28-6-8-29-9-7-28)12-26-22(27)20-11-17-21(31-20)19(4-5-25-17)30-18-3-2-14(24)10-16(18)23;1-22-11(9-24)8-21-18(22)16-7-13-17(28-16)15(4-5-20-13)27-14-3-2-10(23(25)26)6-12(14)19;1-2-4-6-5-3-1;1-4(2)5-3-6;4-3-1-2-3/h4-7,14-16,18H,2-3,8-13,17H2,1H3;4-7,14-16,18H,8-13,17H2,1-3H3;2-5,10-12H,6-9,13H2,1H3;2-5,10-12H,6-9,13,24H2,1H3;2-9H,1H3;1-5H2;4H,1-2H3;3H,1-2,4H2.

What are the key properties of cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane?

cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane has a molecular weight of 2579.00 g/mol, XLogP of 25.78, 35 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;1-[3-fluoro-4-[2-[1-methyl-5-(morpholin-4-ylmethyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-methylpentan-2-one;2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carbaldehyde;4-[[2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazol-4-yl]methyl]morpholine;2-isocyanatopropane;oxane is sourced from PubChem (CID 157319294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).