2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one

C162H159Cl6N19O20S6 — CID 158381805

IUPAC2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.O=C1OCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C31H26ClN3O4S.2C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C25H24ClN3O4S/c32-19-14-18-15-26(31(38)34-11-4-1-5-12-34)39-27(18)24(16-19)21-8-10-33-25-17-20(40-28(21)25)9-13-35-29(36)22-6-2-3-7-23(22)30(35)37;1-16-6-10-31(26(16)32)15-19-14-22-25(35-19)20(5-7-29-22)21-13-18(28)11-17-12-23(34-24(17)21)27(33)30-8-3-2-4-9-30;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;26-16-10-15-11-21(24(30)28-6-2-1-3-7-28)33-22(15)19(12-16)18-4-5-27-20-13-17(34-23(18)20)14-29-8-9-32-25(29)31/h2-3,6-8,10,14,16-17,26H,1,4-5,9,11-13,15H2;5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;4-5,10,12-13,21H,1-3,6-9,11,14H2/t26-;;16?,23-;2*22-;21-/m1.1111/s1
InChIKeyGVWPNUQCKJDMMW-KDIBGXFASA-N
MW3097.29 g/mol
LogP31.26
Rot. Bonds25

About 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one

2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 158381805) has the molecular formula C162H159Cl6N19O20S6 and a molecular weight of 3097.29 g/mol. Its IUPAC name is 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one
PubChem CID158381805
Molecular FormulaC162H159Cl6N19O20S6
Molecular Weight3097.29 g/mol
Exact Mass3091.85
IUPAC Name2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one
SMILESCC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.O=C1OCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C31H26ClN3O4S.2C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C25H24ClN3O4S/c32-19-14-18-15-26(31(38)34-11-4-1-5-12-34)39-27(18)24(16-19)21-8-10-33-25-17-20(40-28(21)25)9-13-35-29(36)22-6-2-3-7-23(22)30(35)37;1-16-6-10-31(26(16)32)15-19-14-22-25(35-19)20(5-7-29-22)21-13-18(28)11-17-12-23(34-24(17)21)27(33)30-8-3-2-4-9-30;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;26-16-10-15-11-21(24(30)28-6-2-1-3-7-28)33-22(15)19(12-16)18-4-5-27-20-13-17(34-23(18)20)14-29-8-9-32-25(29)31/h2-3,6-8,10,14,16-17,26H,1,4-5,9,11-13,15H2;5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;4-5,10,12-13,21H,1-3,6-9,11,14H2/t26-;;16?,23-;2*22-;21-/m1.1111/s1
InChIKeyGVWPNUQCKJDMMW-KDIBGXFASA-N
XLogP31.26
TPSA405.98 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.29
LogP ≤ 531.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one (CID 158381805) is 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one is CC1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.CC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.CN1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4O[C@@H](C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C([C@H]1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)c6ccccc6C5=O)sc34)c2O1)N1CCCCC1.O=C1CCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.O=C1OCCN1Cc1cc2nccc(-c3cc(Cl)cc4c3O[C@@H](C(=O)N3CCCCC3)C4)c2s1.
What is the InChIKey of 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is GVWPNUQCKJDMMW-KDIBGXFASA-N. The full InChI is InChI=1S/C31H26ClN3O4S.2C27H28ClN3O3S.C26H27ClN4O3S.C26H26ClN3O3S.C25H24ClN3O4S/c32-19-14-18-15-26(31(38)34-11-4-1-5-12-34)39-27(18)24(16-19)21-8-10-33-25-17-20(40-28(21)25)9-13-35-29(36)22-6-2-3-7-23(22)30(35)37;1-16-6-10-31(26(16)32)15-19-14-22-25(35-19)20(5-7-29-22)21-13-18(28)11-17-12-23(34-24(17)21)27(33)30-8-3-2-4-9-30;1-16-5-6-24(32)31(16)15-19-14-22-26(35-19)20(7-8-29-22)21-13-18(28)11-17-12-23(34-25(17)21)27(33)30-9-3-2-4-10-30;1-29-9-10-31(26(29)33)15-18-14-21-24(35-18)19(5-6-28-21)20-13-17(27)11-16-12-22(34-23(16)20)25(32)30-7-3-2-4-8-30;27-17-11-16-12-22(26(32)29-8-2-1-3-9-29)33-24(16)20(13-17)19-6-7-28-21-14-18(34-25(19)21)15-30-10-4-5-23(30)31;26-16-10-15-11-21(24(30)28-6-2-1-3-7-28)33-22(15)19(12-16)18-4-5-27-20-13-17(34-23(18)20)14-29-8-9-32-25(29)31/h2-3,6-8,10,14,16-17,26H,1,4-5,9,11-13,15H2;5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;7-8,11,13-14,16,23H,2-6,9-10,12,15H2,1H3;5-6,11,13-14,22H,2-4,7-10,12,15H2,1H3;6-7,11,13-14,22H,1-5,8-10,12,15H2;4-5,10,12-13,21H,1-3,6-9,11,14H2/t26-;;16?,23-;2*22-;21-/m1.1111/s1.
What are the key properties of 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one?
2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 3097.29 g/mol, XLogP of 31.26, 25 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]isoindole-1,3-dione;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylimidazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyrrolidin-2-one;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidin-2-one;3-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidin-2-one;1-[[7-[(2R)-5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 158381805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).