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

C93H88Cl4F2N12O8S4 — CID 161217811

IUPAC3-(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
SMILESCC(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
InChIInChI=1S/C24H20ClF2N3O2S.C24H22ClN3O2S.C23H24ClN3O2S.C22H22ClN3O2S/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/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
InChIKeyUXCKEUGNRKVQNW-UHFFFAOYSA-N
MW1809.88 g/mol
LogP20.94
Rot. Bonds13

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)-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 (PubChem CID 161217811) has the molecular formula C93H88Cl4F2N12O8S4 and a molecular weight of 1809.88 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.

Molecular Properties

Compound Name3-(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
PubChem CID161217811
Molecular FormulaC93H88Cl4F2N12O8S4
Molecular Weight1809.88 g/mol
Exact Mass1806.45
IUPAC Name3-(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
SMILESCC(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
InChIInChI=1S/C24H20ClF2N3O2S.C24H22ClN3O2S.C23H24ClN3O2S.C22H22ClN3O2S/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/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
InChIKeyUXCKEUGNRKVQNW-UHFFFAOYSA-N
XLogP20.94
TPSA202.91 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.88
LogP ≤ 520.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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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?
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 (CID 161217811) 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.
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?
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 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.
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?
The InChIKey is UXCKEUGNRKVQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2S.C24H22ClN3O2S.C23H24ClN3O2S.C22H22ClN3O2S/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/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.
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)-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 has a molecular weight of 1809.88 g/mol, XLogP of 20.94, 13 rotatable bonds, 1 hydrogen bond donors, and 22 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 is sourced from PubChem (CID 161217811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).