4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C215H191Cl10F2N37O19S8 — CID 160605305

IUPAC4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESCC(F)(F)CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CN(C)C1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CNC1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccnn34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ncnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccoc45)c3O1)CNCC2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccsc45)c3O1)CNCC2
InChIInChI=1S/C24H20ClF2N3O2S.C23H24ClN3O2S.2C22H22ClN3O2S.C21H18ClN5O2.C21H18ClN5OS.C21H16ClN3O2S.C21H20ClN3O2S.C20H16ClN5O2.C20H15ClN4O2S/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;1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19;1-25(2)15-4-7-26(12-15)22(27)19-10-13-9-14(23)11-17(20(13)28-19)16-3-6-24-18-5-8-29-21(16)18;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;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)29-17)18-21-16(3-5-28-21)24-10-25-18;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)28-17)18-21-16(3-5-29-21)24-10-25-18;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;1-24(2)14-10-25(11-14)21(26)18-8-12-7-13(22)9-16(19(12)27-18)15-3-5-23-17-4-6-28-20(15)17;21-12-7-11-8-17(20-14-10-22-4-1-15(14)25-28-20)27-19(11)13(9-12)16-2-5-23-18-3-6-24-26(16)18;21-11-5-10-6-16(19-13-8-22-3-1-14(13)25-27-19)26-18(10)12(7-11)17-20-15(2-4-28-20)23-9-24-17/h2,4-5,7-8,10,20H,3,6,9,11-12H2,1H3;5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3;3,5-6,8-9,11,15,19H,4,7,10,12H2,1-2H3;4-6,8-9,11,15,19,24H,2-3,7,10,12H2,1H3;2*3,5-6,8,10,17,23H,2,4,7,9H2,1H3;1,3,5-7,9,18,23H,2,4,8,10H2;3-7,9,14,18H,8,10-11H2,1-2H3;2-3,5-7,9,17,22H,1,4,8,10H2;2,4-5,7,9,16,22H,1,3,6,8H2
InChIKeyREUGQIVNCKXMEV-UHFFFAOYSA-N
MW4246.19 g/mol
LogP42.95
Rot. Bonds26

About 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 160605305) has the molecular formula C215H191Cl10F2N37O19S8 and a molecular weight of 4246.19 g/mol. Its IUPAC name is 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
PubChem CID160605305
Molecular FormulaC215H191Cl10F2N37O19S8
Molecular Weight4246.19 g/mol
Exact Mass4237.97
IUPAC Name4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESCC(F)(F)CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CN(C)C1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CNC1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccnn34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ncnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccoc45)c3O1)CNCC2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccsc45)c3O1)CNCC2
InChIInChI=1S/C24H20ClF2N3O2S.C23H24ClN3O2S.2C22H22ClN3O2S.C21H18ClN5O2.C21H18ClN5OS.C21H16ClN3O2S.C21H20ClN3O2S.C20H16ClN5O2.C20H15ClN4O2S/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;1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19;1-25(2)15-4-7-26(12-15)22(27)19-10-13-9-14(23)11-17(20(13)28-19)16-3-6-24-18-5-8-29-21(16)18;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;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)29-17)18-21-16(3-5-28-21)24-10-25-18;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)28-17)18-21-16(3-5-29-21)24-10-25-18;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;1-24(2)14-10-25(11-14)21(26)18-8-12-7-13(22)9-16(19(12)27-18)15-3-5-23-17-4-6-28-20(15)17;21-12-7-11-8-17(20-14-10-22-4-1-15(14)25-28-20)27-19(11)13(9-12)16-2-5-23-18-3-6-24-26(16)18;21-11-5-10-6-16(19-13-8-22-3-1-14(13)25-27-19)26-18(10)12(7-11)17-20-15(2-4-28-20)23-9-24-17/h2,4-5,7-8,10,20H,3,6,9,11-12H2,1H3;5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3;3,5-6,8-9,11,15,19H,4,7,10,12H2,1-2H3;4-6,8-9,11,15,19,24H,2-3,7,10,12H2,1H3;2*3,5-6,8,10,17,23H,2,4,7,9H2,1H3;1,3,5-7,9,18,23H,2,4,8,10H2;3-7,9,14,18H,8,10-11H2,1-2H3;2-3,5-7,9,17,22H,1,4,8,10H2;2,4-5,7,9,16,22H,1,3,6,8H2
InChIKeyREUGQIVNCKXMEV-UHFFFAOYSA-N
XLogP42.95
TPSA596.45 Ų
H-Bond Donors6
H-Bond Acceptors60
Rotatable Bonds26
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004246.19
LogP ≤ 542.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1060

Analyze 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine with MolForge

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What is the IUPAC name of 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 160605305) is 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-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 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is CC(F)(F)CN1CCc2noc(C3Cc4cc(Cl)cc(-c5ccnc6ccsc56)c4O3)c2C1.CN(C)C1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CN(C)C1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.CNC1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccnn34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ncnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccoc45)c3O1)CNCC2.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ncnc5ccsc45)c3O1)CNCC2.
What is the InChIKey of 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is REUGQIVNCKXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2S.C23H24ClN3O2S.2C22H22ClN3O2S.C21H18ClN5O2.C21H18ClN5OS.C21H16ClN3O2S.C21H20ClN3O2S.C20H16ClN5O2.C20H15ClN4O2S/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;1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19;1-25(2)15-4-7-26(12-15)22(27)19-10-13-9-14(23)11-17(20(13)28-19)16-3-6-24-18-5-8-29-21(16)18;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;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)29-17)18-21-16(3-5-28-21)24-10-25-18;1-27-19(14-9-23-4-2-15(14)26-27)17-7-11-6-12(22)8-13(20(11)28-17)18-21-16(3-5-29-21)24-10-25-18;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;1-24(2)14-10-25(11-14)21(26)18-8-12-7-13(22)9-16(19(12)27-18)15-3-5-23-17-4-6-28-20(15)17;21-12-7-11-8-17(20-14-10-22-4-1-15(14)25-28-20)27-19(11)13(9-12)16-2-5-23-18-3-6-24-26(16)18;21-11-5-10-6-16(19-13-8-22-3-1-14(13)25-27-19)26-18(10)12(7-11)17-20-15(2-4-28-20)23-9-24-17/h2,4-5,7-8,10,20H,3,6,9,11-12H2,1H3;5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3;3,5-6,8-9,11,15,19H,4,7,10,12H2,1-2H3;4-6,8-9,11,15,19,24H,2-3,7,10,12H2,1H3;2*3,5-6,8,10,17,23H,2,4,7,9H2,1H3;1,3,5-7,9,18,23H,2,4,8,10H2;3-7,9,14,18H,8,10-11H2,1-2H3;2-3,5-7,9,17,22H,1,4,8,10H2;2,4-5,7,9,16,22H,1,3,6,8H2.
What are the key properties of 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-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 4246.19 g/mol, XLogP of 42.95, 26 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;4-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidine;3-(5-chloro-7-pyrazolo[1,5-a]pyrimidin-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)-[3-(dimethylamino)azetidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)pyrrolidin-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)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-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 160605305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).