5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione

C151H139Cl6N21O24S7 — CID 157399845

IUPAC5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CNC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)COC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CSC5=O)sc34)c2O1)N1CCCCC1.O=C1CN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C(=O)N1.O=C1NC(=O)C(c2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)N1
InChIInChI=1S/C27H28ClN3O3S.2C25H23ClN4O4S.C25H22ClN3O5S.C25H22ClN3O4S2.C24H21ClN4O4S/c1-16-6-10-31(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;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)13-30-21(31)12-28-25(30)33;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-30-13-21(31)28-25(30)33;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-33-25(29)32;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)33-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-34-25(29)32;25-13-8-12-9-17(23(31)29-6-2-1-3-7-29)33-20(12)15(10-13)14-4-5-26-16-11-18(34-21(14)16)19-22(30)28-24(32)27-19/h5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,33);4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,31,33);2*4-5,8,10-11,20H,1-3,6-7,9,12-13H2;4-5,8,10-11,17,19H,1-3,6-7,9H2,(H2,27,28,30,32)
InChIKeyBNABZQHMAFXMBC-UHFFFAOYSA-N
MW3069.08 g/mol
LogP26.62
Rot. Bonds23

About 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 157399845) has the molecular formula C151H139Cl6N21O24S7 and a molecular weight of 3069.08 g/mol. Its IUPAC name is 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID157399845
Molecular FormulaC151H139Cl6N21O24S7
Molecular Weight3069.08 g/mol
Exact Mass3063.65
IUPAC Name5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CNC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)COC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CSC5=O)sc34)c2O1)N1CCCCC1.O=C1CN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C(=O)N1.O=C1NC(=O)C(c2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)N1
InChIInChI=1S/C27H28ClN3O3S.2C25H23ClN4O4S.C25H22ClN3O5S.C25H22ClN3O4S2.C24H21ClN4O4S/c1-16-6-10-31(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;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)13-30-21(31)12-28-25(30)33;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-30-13-21(31)28-25(30)33;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-33-25(29)32;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)33-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-34-25(29)32;25-13-8-12-9-17(23(31)29-6-2-1-3-7-29)33-20(12)15(10-13)14-4-5-26-16-11-18(34-21(14)16)19-22(30)28-24(32)27-19/h5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,33);4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,31,33);2*4-5,8,10-11,20H,1-3,6-7,9,12-13H2;4-5,8,10-11,17,19H,1-3,6-7,9H2,(H2,27,28,30,32)
InChIKeyBNABZQHMAFXMBC-UHFFFAOYSA-N
XLogP26.62
TPSA515.90 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003069.08
LogP ≤ 526.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 157399845) is 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione is CC1CCN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CNC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)COC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CSC5=O)sc34)c2O1)N1CCCCC1.O=C1CN(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C(=O)N1.O=C1NC(=O)C(c2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)N1.
What is the InChIKey of 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BNABZQHMAFXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3S.2C25H23ClN4O4S.C25H22ClN3O5S.C25H22ClN3O4S2.C24H21ClN4O4S/c1-16-6-10-31(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;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)13-30-21(31)12-28-25(30)33;26-15-8-14-9-20(24(32)29-6-2-1-3-7-29)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-30-13-21(31)28-25(30)33;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)34-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-33-25(29)32;26-15-8-14-9-20(24(31)28-6-2-1-3-7-28)33-22(14)18(10-15)17-4-5-27-19-11-16(35-23(17)19)12-29-21(30)13-34-25(29)32;25-13-8-12-9-17(23(31)29-6-2-1-3-7-29)33-20(12)15(10-13)14-4-5-26-16-11-18(34-21(14)16)19-22(30)28-24(32)27-19/h5,7,11,13-14,16,23H,2-4,6,8-10,12,15H2,1H3;4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,33);4-5,8,10-11,20H,1-3,6-7,9,12-13H2,(H,28,31,33);2*4-5,8,10-11,20H,1-3,6-7,9,12-13H2;4-5,8,10-11,17,19H,1-3,6-7,9H2,(H2,27,28,30,32).
What are the key properties of 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 3069.08 g/mol, XLogP of 26.62, 23 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;1-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]imidazolidine-2,4-dione;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-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-oxazolidine-2,4-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157399845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).