3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C114H104Cl5F2N15O10S5 — CID 159613577

About 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 159613577) has the molecular formula C114H104Cl5F2N15O10S5 and a molecular weight of 2219.78 g/mol. Its IUPAC name is 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• PubChem CID: 159613577
• Molecular Formula: C114H104Cl5F2N15O10S5
• Molecular Weight: 2219.78 g/mol
• Exact Mass: 2215.51
• IUPAC Name: 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• SMILES: CC(C)N1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CC(F)(F)CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)CC1.CNC1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2
• InChI: InChI=1S/C24H20ClF2N3O2S.C24H22ClN3O2S.C23H24ClN3O2S.C22H22ClN3O2S.C21H16ClN3O2S/c1-24(26,27)12-30-6-3-18-17(11-30)22(32-29-18)20-9-13-8-14(25)10-16(21(13)31-20)15-2-5-28-19-4-7-33-23(15)19;1-13(2)28-7-4-19-18(12-28)23(30-27-19)21-10-14-9-15(25)11-17(22(14)29-21)16-3-6-26-20-5-8-31-24(16)20;1-26(2)16-4-8-27(9-5-16)23(28)20-12-14-11-15(24)13-18(21(14)29-20)17-3-7-25-19-6-10-30-22(17)19;1-24-15-3-2-7-26(12-15)22(27)19-10-13-9-14(23)11-17(20(13)28-19)16-4-6-25-18-5-8-29-21(16)18;22-12-7-11-8-18(20-15-10-23-4-2-16(15)25-27-20)26-19(11)14(9-12)13-1-5-24-17-3-6-28-21(13)17/h2,4-5,7-8,10,20H,3,6,9,11-12H2,1H3;3,5-6,8-9,11,13,21H,4,7,10,12H2,1-2H3;3,6-7,10-11,13,16,20H,4-5,8-9,12H2,1-2H3;4-6,8-9,11,15,19,24H,2-3,7,10,12H2,1H3;1,3,5-7,9,18,23H,2,4,8,10H2
• InChIKey: MMZWKEPFMIVCCX-UHFFFAOYSA-N
• XLogP: 25.87
• TPSA: 263.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.78
LogP ≤ 5	25.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The IUPAC name of 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 159613577) is 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

What is the SMILES notation for 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The canonical SMILES for 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is CC(C)N1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CC(F)(F)CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)CC1.CNC1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.

What is the InChIKey of 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The InChIKey is MMZWKEPFMIVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2S.C24H22ClN3O2S.C23H24ClN3O2S.C22H22ClN3O2S.C21H16ClN3O2S/c1-24(26,27)12-30-6-3-18-17(11-30)22(32-29-18)20-9-13-8-14(25)10-16(21(13)31-20)15-2-5-28-19-4-7-33-23(15)19;1-13(2)28-7-4-19-18(12-28)23(30-27-19)21-10-14-9-15(25)11-17(22(14)29-21)16-3-6-26-20-5-8-31-24(16)20;1-26(2)16-4-8-27(9-5-16)23(28)20-12-14-11-15(24)13-18(21(14)29-20)17-3-7-25-19-6-10-30-22(17)19;1-24-15-3-2-7-26(12-15)22(27)19-10-13-9-14(23)11-17(20(13)28-19)16-4-6-25-18-5-8-29-21(16)18;22-12-7-11-8-18(20-15-10-23-4-2-16(15)25-27-20)26-19(11)14(9-12)13-1-5-24-17-3-6-28-21(13)17/h2,4-5,7-8,10,20H,3,6,9,11-12H2,1H3;3,5-6,8-9,11,13,21H,4,7,10,12H2,1-2H3;3,6-7,10-11,13,16,20H,4-5,8-9,12H2,1-2H3;4-6,8-9,11,15,19,24H,2-3,7,10,12H2,1H3;1,3,5-7,9,18,23H,2,4,8,10H2.

What are the key properties of 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 2219.78 g/mol, XLogP of 25.87, 15 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-(2,2-difluoropropyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 159613577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).