[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol

C150H147Cl6N17O20S6 — CID 157100070

IUPAC[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CC(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.OC1(c2cc3nccc(-c4cc(Cl)cc5c4OC(c4onc6c4CNCC6)C5)c3s2)CCC1
InChIInChI=1S/C26H30ClN3O4S2.C26H26ClN3O3S.C25H22ClN3O3S.C25H27ClN2O4S.C24H17ClN4O2.C24H25ClN2O4S/c1-16(2)36(32,33)29-9-6-19-15-22-25(35-19)20(7-8-28-22)21-14-18(27)12-17-13-23(34-24(17)21)26(31)30-10-4-3-5-11-30;1-13(2)7-21(31)23-11-20-26(34-23)16(3-6-29-20)17-10-15(27)8-14-9-22(32-24(14)17)25-18-12-28-5-4-19(18)30-33-25;26-14-8-13-9-20(23-17-12-27-6-3-18(17)29-32-23)31-22(13)16(10-14)15-2-7-28-19-11-21(33-24(15)19)25(30)4-1-5-25;1-2-25(31,14-29)21-13-19-23(33-21)17(6-7-27-19)18-12-16(26)10-15-11-20(32-22(15)18)24(30)28-8-4-3-5-9-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;1-24(30,13-28)20-12-18-22(32-20)16(5-6-26-18)17-11-15(25)9-14-10-19(31-21(14)17)23(29)27-7-3-2-4-8-27/h7-8,12,14-16,23,29H,3-6,9-11,13H2,1-2H3;3,6,8,10-11,13,21-22,28,31H,4-5,7,9,12H2,1-2H3;2,7-8,10-11,20,27,30H,1,3-6,9,12H2;6-7,10,12-13,20,29,31H,2-5,8-9,11,14H2,1H3;1-3,6-8,10,22,27H,4-5,9,12H2;5-6,9,11-12,19,28,30H,2-4,7-8,10,13H2,1H3
InChIKeyAFQVVGUZHRTDOG-UHFFFAOYSA-N
MW2913.04 g/mol
LogP29.50
Rot. Bonds26

About [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol

[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol (PubChem CID 157100070) has the molecular formula C150H147Cl6N17O20S6 and a molecular weight of 2913.04 g/mol. Its IUPAC name is [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol
PubChem CID157100070
Molecular FormulaC150H147Cl6N17O20S6
Molecular Weight2913.04 g/mol
Exact Mass2907.75
IUPAC Name[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CC(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.OC1(c2cc3nccc(-c4cc(Cl)cc5c4OC(c4onc6c4CNCC6)C5)c3s2)CCC1
InChIInChI=1S/C26H30ClN3O4S2.C26H26ClN3O3S.C25H22ClN3O3S.C25H27ClN2O4S.C24H17ClN4O2.C24H25ClN2O4S/c1-16(2)36(32,33)29-9-6-19-15-22-25(35-19)20(7-8-28-22)21-14-18(27)12-17-13-23(34-24(17)21)26(31)30-10-4-3-5-11-30;1-13(2)7-21(31)23-11-20-26(34-23)16(3-6-29-20)17-10-15(27)8-14-9-22(32-24(14)17)25-18-12-28-5-4-19(18)30-33-25;26-14-8-13-9-20(23-17-12-27-6-3-18(17)29-32-23)31-22(13)16(10-14)15-2-7-28-19-11-21(33-24(15)19)25(30)4-1-5-25;1-2-25(31,14-29)21-13-19-23(33-21)17(6-7-27-19)18-12-16(26)10-15-11-20(32-22(15)18)24(30)28-8-4-3-5-9-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;1-24(30,13-28)20-12-18-22(32-20)16(5-6-26-18)17-11-15(25)9-14-10-19(31-21(14)17)23(29)27-7-3-2-4-8-27/h7-8,12,14-16,23,29H,3-6,9-11,13H2,1-2H3;3,6,8,10-11,13,21-22,28,31H,4-5,7,9,12H2,1-2H3;2,7-8,10-11,20,27,30H,1,3-6,9,12H2;6-7,10,12-13,20,29,31H,2-5,8-9,11,14H2,1H3;1-3,6-8,10,22,27H,4-5,9,12H2;5-6,9,11-12,19,28,30H,2-4,7-8,10,13H2,1H3
InChIKeyAFQVVGUZHRTDOG-UHFFFAOYSA-N
XLogP29.50
TPSA499.17 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002913.04
LogP ≤ 529.50
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol?
The IUPAC name of [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol (CID 157100070) is [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol.
What is the SMILES notation for [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol?
The canonical SMILES for [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol is CC(C)CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CC(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CCC(O)(CO)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.N#Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.OC1(c2cc3nccc(-c4cc(Cl)cc5c4OC(c4onc6c4CNCC6)C5)c3s2)CCC1.
What is the InChIKey of [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol?
The InChIKey is AFQVVGUZHRTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4S2.C26H26ClN3O3S.C25H22ClN3O3S.C25H27ClN2O4S.C24H17ClN4O2.C24H25ClN2O4S/c1-16(2)36(32,33)29-9-6-19-15-22-25(35-19)20(7-8-28-22)21-14-18(27)12-17-13-23(34-24(17)21)26(31)30-10-4-3-5-11-30;1-13(2)7-21(31)23-11-20-26(34-23)16(3-6-29-20)17-10-15(27)8-14-9-22(32-24(14)17)25-18-12-28-5-4-19(18)30-33-25;26-14-8-13-9-20(23-17-12-27-6-3-18(17)29-32-23)31-22(13)16(10-14)15-2-7-28-19-11-21(33-24(15)19)25(30)4-1-5-25;1-2-25(31,14-29)21-13-19-23(33-21)17(6-7-27-19)18-12-16(26)10-15-11-20(32-22(15)18)24(30)28-8-4-3-5-9-28;25-15-8-14-9-22(24-19-12-27-5-4-20(19)29-31-24)30-23(14)18(10-15)16-3-6-28-21-7-13(11-26)1-2-17(16)21;1-24(30,13-28)20-12-18-22(32-20)16(5-6-26-18)17-11-15(25)9-14-10-19(31-21(14)17)23(29)27-7-3-2-4-8-27/h7-8,12,14-16,23,29H,3-6,9-11,13H2,1-2H3;3,6,8,10-11,13,21-22,28,31H,4-5,7,9,12H2,1-2H3;2,7-8,10-11,20,27,30H,1,3-6,9,12H2;6-7,10,12-13,20,29,31H,2-5,8-9,11,14H2,1H3;1-3,6-8,10,22,27H,4-5,9,12H2;5-6,9,11-12,19,28,30H,2-4,7-8,10,13H2,1H3.
What are the key properties of [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol?
[5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol has a molecular weight of 2913.04 g/mol, XLogP of 29.50, 26 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-[2-(1,2-dihydroxybutan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1,2-dihydroxypropan-2-yl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;N-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]propane-2-sulfonamide;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]quinoline-7-carbonitrile;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]thieno[3,2-b]pyridin-2-yl]cyclobutan-1-ol;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]thieno[3,2-b]pyridin-2-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 157100070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).