bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione

C156H146Cl6N24O26S — CID 159455633

IUPACbis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)CCC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ncnc4cc(CN5C(=O)CCC5=O)oc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.O=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C27H26ClN3O4S.2C27H28ClN3O4.C25H21ClN6O4.C25H20ClN5O5.C25H23ClN4O5/c28-17-12-16-13-22(27(34)30-9-2-1-3-10-30)35-25(16)20(14-17)19-6-8-29-21-15-18(36-26(19)21)7-11-31-23(32)4-5-24(31)33;2*28-18-12-17-13-23(27(34)30-8-2-1-3-9-30)35-26(17)21(14-18)19-6-7-29-22-11-16(10-20(19)22)15-31-24(32)4-5-25(31)33;26-14-7-13-8-20(25-17-11-27-5-3-18(17)30-36-25)35-24(13)16(9-14)19-4-6-28-21-10-15(29-32(19)21)12-31-22(33)1-2-23(31)34;26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33;26-15-8-14-9-19(25(33)29-6-2-1-3-7-29)35-23(14)17(10-15)22-24-18(27-13-28-22)11-16(34-24)12-30-20(31)4-5-21(30)32/h6,8,12,14-15,22H,1-5,7,9-11,13H2;2*6-7,12,14,16,23H,1-5,8-11,13,15H2;4,6-7,9-10,20,27H,1-3,5,8,11-12H2;5,7-8,11,19,27H,1-4,6,9-10H2;8,10-11,13,19H,1-7,9,12H2
InChIKeyLTXYKJWTIWTSKR-UHFFFAOYSA-N
MW3017.81 g/mol
LogP21.81
Rot. Bonds25

About bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione

bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione (PubChem CID 159455633) has the molecular formula C156H146Cl6N24O26S and a molecular weight of 3017.81 g/mol. Its IUPAC name is bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Namebis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione
PubChem CID159455633
Molecular FormulaC156H146Cl6N24O26S
Molecular Weight3017.81 g/mol
Exact Mass3012.87
IUPAC Namebis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione
SMILESO=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)CCC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ncnc4cc(CN5C(=O)CCC5=O)oc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.O=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1
InChIInChI=1S/C27H26ClN3O4S.2C27H28ClN3O4.C25H21ClN6O4.C25H20ClN5O5.C25H23ClN4O5/c28-17-12-16-13-22(27(34)30-9-2-1-3-10-30)35-25(16)20(14-17)19-6-8-29-21-15-18(36-26(19)21)7-11-31-23(32)4-5-24(31)33;2*28-18-12-17-13-23(27(34)30-8-2-1-3-9-30)35-26(17)21(14-18)19-6-7-29-22-11-16(10-20(19)22)15-31-24(32)4-5-25(31)33;26-14-7-13-8-20(25-17-11-27-5-3-18(17)30-36-25)35-24(13)16(9-14)19-4-6-28-21-10-15(29-32(19)21)12-31-22(33)1-2-23(31)34;26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33;26-15-8-14-9-19(25(33)29-6-2-1-3-7-29)35-23(14)17(10-15)22-24-18(27-13-28-22)11-16(34-24)12-30-20(31)4-5-21(30)32/h6,8,12,14-15,22H,1-5,7,9-11,13H2;2*6-7,12,14,16,23H,1-5,8-11,13,15H2;4,6-7,9-10,20,27H,1-3,5,8,11-12H2;5,7-8,11,19,27H,1-4,6,9-10H2;8,10-11,13,19H,1-7,9,12H2
InChIKeyLTXYKJWTIWTSKR-UHFFFAOYSA-N
XLogP21.81
TPSA583.72 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003017.81
LogP ≤ 521.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione?
The IUPAC name of bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione (CID 159455633) is bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione is O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CC(CN3C(=O)CCC3=O)C4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CCN5C(=O)CCC5=O)sc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ncnc4cc(CN5C(=O)CCC5=O)oc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)n2n1.O=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.
What is the InChIKey of bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione?
The InChIKey is LTXYKJWTIWTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4S.2C27H28ClN3O4.C25H21ClN6O4.C25H20ClN5O5.C25H23ClN4O5/c28-17-12-16-13-22(27(34)30-9-2-1-3-10-30)35-25(16)20(14-17)19-6-8-29-21-15-18(36-26(19)21)7-11-31-23(32)4-5-24(31)33;2*28-18-12-17-13-23(27(34)30-8-2-1-3-9-30)35-26(17)21(14-18)19-6-7-29-22-11-16(10-20(19)22)15-31-24(32)4-5-25(31)33;26-14-7-13-8-20(25-17-11-27-5-3-18(17)30-36-25)35-24(13)16(9-14)19-4-6-28-21-10-15(29-32(19)21)12-31-22(33)1-2-23(31)34;26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33;26-15-8-14-9-19(25(33)29-6-2-1-3-7-29)35-23(14)17(10-15)22-24-18(27-13-28-22)11-16(34-24)12-30-20(31)4-5-21(30)32/h6,8,12,14-15,22H,1-5,7,9-11,13H2;2*6-7,12,14,16,23H,1-5,8-11,13,15H2;4,6-7,9-10,20,27H,1-3,5,8,11-12H2;5,7-8,11,19,27H,1-4,6,9-10H2;8,10-11,13,19H,1-7,9,12H2.
What are the key properties of bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione?
bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione has a molecular weight of 3017.81 g/mol, XLogP of 21.81, 25 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl]methyl]pyrrolidine-2,5-dione);1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethyl]pyrrolidine-2,5-dione;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]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;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]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159455633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).