1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

C141H141Cl6F2N19O19S3 — CID 160775088

IUPAC1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
SMILESCCC(O)(CC)C1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2C1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(CN3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3ocnc3CNCC(C)(F)F)C4)c2s1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)sc34)c2O1)N1CCC(O)C1.OCC1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2O1
InChIInChI=1S/C27H30ClN3O3.C24H23ClF2N4O3S.C24H27ClN2O2S.C23H22ClN5O3.C22H20ClN3O4.C21H19ClN2O4S/c1-3-27(32,4-2)16-11-19-18(5-8-30-23(19)12-16)20-13-17(28)9-15-10-24(33-25(15)20)26-21-14-29-7-6-22(21)31-34-26;1-3-17(32)19-7-15-23(35-19)20(30-10-29-15)14-6-13(25)4-12-5-18(34-21(12)14)22-16(31-11-33-22)8-28-9-24(2,26)27;1-2-21(28)22-13-20-24(30-22)18(6-7-26-20)19-12-16(25)10-15-11-17(29-23(15)19)14-27-8-4-3-5-9-27;1-2-19(30)17-10-21-26-6-4-18(29(21)27-17)14-9-13(24)7-12-8-20(31-22(12)14)23-15-11-25-5-3-16(15)28-32-23;23-12-5-11-6-19(22-16-9-24-3-2-17(16)26-30-22)29-20(11)15(7-12)14-1-4-25-18-8-13(10-27)28-21(14)18;22-12-5-11-6-18(21(27)24-4-2-13(26)9-24)28-19(11)16(7-12)15-1-3-23-17-8-14(10-25)29-20(15)17/h5,8-9,13,16,24,29,32H,3-4,6-7,10-12,14H2,1-2H3;4,6-7,10-11,17-18,28,32H,3,5,8-9H2,1-2H3;6-7,10,12-13,17,21,28H,2-5,8-9,11,14H2,1H3;4,6-7,9-10,19-20,25,30H,2-3,5,8,11H2,1H3;1,4-5,7,13,19,24,27H,2-3,6,8-10H2;1,3,5,7-8,13,18,25-26H,2,4,6,9-10H2
InChIKeyRZVJYOKACHCLOS-UHFFFAOYSA-N
MW2752.71 g/mol
LogP26.51
Rot. Bonds28

About 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol

1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol (PubChem CID 160775088) has the molecular formula C141H141Cl6F2N19O19S3 and a molecular weight of 2752.71 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
PubChem CID160775088
Molecular FormulaC141H141Cl6F2N19O19S3
Molecular Weight2752.71 g/mol
Exact Mass2747.79
IUPAC Name1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
SMILESCCC(O)(CC)C1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2C1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(CN3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3ocnc3CNCC(C)(F)F)C4)c2s1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)sc34)c2O1)N1CCC(O)C1.OCC1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2O1
InChIInChI=1S/C27H30ClN3O3.C24H23ClF2N4O3S.C24H27ClN2O2S.C23H22ClN5O3.C22H20ClN3O4.C21H19ClN2O4S/c1-3-27(32,4-2)16-11-19-18(5-8-30-23(19)12-16)20-13-17(28)9-15-10-24(33-25(15)20)26-21-14-29-7-6-22(21)31-34-26;1-3-17(32)19-7-15-23(35-19)20(30-10-29-15)14-6-13(25)4-12-5-18(34-21(12)14)22-16(31-11-33-22)8-28-9-24(2,26)27;1-2-21(28)22-13-20-24(30-22)18(6-7-26-20)19-12-16(25)10-15-11-17(29-23(15)19)14-27-8-4-3-5-9-27;1-2-19(30)17-10-21-26-6-4-18(29(21)27-17)14-9-13(24)7-12-8-20(31-22(12)14)23-15-11-25-5-3-16(15)28-32-23;23-12-5-11-6-19(22-16-9-24-3-2-17(16)26-30-22)29-20(11)15(7-12)14-1-4-25-18-8-13(10-27)28-21(14)18;22-12-5-11-6-18(21(27)24-4-2-13(26)9-24)28-19(11)16(7-12)15-1-3-23-17-8-14(10-25)29-20(15)17/h5,8-9,13,16,24,29,32H,3-4,6-7,10-12,14H2,1-2H3;4,6-7,10-11,17-18,28,32H,3,5,8-9H2,1-2H3;6-7,10,12-13,17,21,28H,2-5,8-9,11,14H2,1H3;4,6-7,9-10,19-20,25,30H,2-3,5,8,11H2,1H3;1,4-5,7,13,19,24,27H,2-3,6,8-10H2;1,3,5,7-8,13,18,25-26H,2,4,6,9-10H2
InChIKeyRZVJYOKACHCLOS-UHFFFAOYSA-N
XLogP26.51
TPSA489.54 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002752.71
LogP ≤ 526.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol with MolForge

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Related Compounds

4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidine;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 157840506
CID 158108097
CID 158108097
[7-[5-chloro-2-[5-(dimethylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 159374258
[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol
CID 159435460
[7-[5-chloro-2-[5-(dimethylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(1-hydroxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[4-(3H-pyrrol-4-yl)piperidin-1-yl]methanone;1-[7-[5-chloro-2-[4-(piperidin-1-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 160109617
[7-[5-chloro-2-[5-(dimethylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methanol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;1-[7-[5-chloro-2-[4-(morpholin-4-ylmethyl)-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;1-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]propan-1-ol;7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 160304062
1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[4-[5-chloro-2-[5-(dimethylamino)-2-methyl-4,5,6,7-tetrahydroindazol-3-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[7-[5-chloro-2-methyl-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-3H-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]methanol
CID 160362646
CID 160605305
CID 160605305
CID 161048843
CID 161048843
3-[[4-[(2S)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-propan-2-ylpyrimidine-2,4-dione;3-[[4-[(2S)-5-chloro-2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione;3-[[7-[(2S)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-propan-2-ylpyrimidine-2,4-dione;3-[[7-[(2S)-5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 161188789
CID 161227852
CID 161227852
1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;2-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]propan-2-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
CID 161972673

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol?
The IUPAC name of 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol (CID 160775088) is 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol?
The canonical SMILES for 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol is CCC(O)(CC)C1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2C1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(CN3CCCCC3)C4)c2s1.CCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.CCC(O)c1cc2ncnc(-c3cc(Cl)cc4c3OC(c3ocnc3CNCC(C)(F)F)C4)c2s1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CO)sc34)c2O1)N1CCC(O)C1.OCC1Cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2O1.
What is the InChIKey of 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol?
The InChIKey is RZVJYOKACHCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O3.C24H23ClF2N4O3S.C24H27ClN2O2S.C23H22ClN5O3.C22H20ClN3O4.C21H19ClN2O4S/c1-3-27(32,4-2)16-11-19-18(5-8-30-23(19)12-16)20-13-17(28)9-15-10-24(33-25(15)20)26-21-14-29-7-6-22(21)31-34-26;1-3-17(32)19-7-15-23(35-19)20(30-10-29-15)14-6-13(25)4-12-5-18(34-21(12)14)22-16(31-11-33-22)8-28-9-24(2,26)27;1-2-21(28)22-13-20-24(30-22)18(6-7-26-20)19-12-16(25)10-15-11-17(29-23(15)19)14-27-8-4-3-5-9-27;1-2-19(30)17-10-21-26-6-4-18(29(21)27-17)14-9-13(24)7-12-8-20(31-22(12)14)23-15-11-25-5-3-16(15)28-32-23;23-12-5-11-6-19(22-16-9-24-3-2-17(16)26-30-22)29-20(11)15(7-12)14-1-4-25-18-8-13(10-27)28-21(14)18;22-12-5-11-6-18(21(27)24-4-2-13(26)9-24)28-19(11)16(7-12)15-1-3-23-17-8-14(10-25)29-20(15)17/h5,8-9,13,16,24,29,32H,3-4,6-7,10-12,14H2,1-2H3;4,6-7,10-11,17-18,28,32H,3,5,8-9H2,1-2H3;6-7,10,12-13,17,21,28H,2-5,8-9,11,14H2,1H3;4,6-7,9-10,19-20,25,30H,2-3,5,8,11H2,1H3;1,4-5,7,13,19,24,27H,2-3,6,8-10H2;1,3,5,7-8,13,18,25-26H,2,4,6,9-10H2.
What are the key properties of 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol?
1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol has a molecular weight of 2752.71 g/mol, XLogP of 26.51, 28 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-2-[4-[(2,2-difluoropropylamino)methyl]-1,3-oxazol-5-yl]-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-d]pyrimidin-6-yl]propan-1-ol;[5-chloro-7-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-[7-[5-chloro-2-(piperidin-1-ylmethyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;3-[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]pentan-3-ol;[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]-2,3-dihydrofuro[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-ol is sourced from PubChem (CID 160775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).