[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C159H146Cl6N22O21S6 — CID 161336434

IUPAC[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)N1C(=O)CCC1=O.CC1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)CCC6=O)sc45)c3O1)CNCC2.NCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CC(N3CCC3)CC5)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1
InChIInChI=1S/C30H27ClN4O4S.C27H24ClN5O3S.2C27H26ClN3O4S.C26H21ClN4O4S.C22H22ClN3O2S/c31-17-10-16-11-25(29-22-13-18(34-8-1-9-34)2-3-23(22)33-39-29)38-28(16)21(12-17)20-6-7-32-24-14-19(40-30(20)24)15-35-26(36)4-5-27(35)37;1-32-25(19-12-29-6-5-20(19)31-32)22-9-14-8-15(28)10-18(26(14)36-22)17-4-7-30-21-11-16(37-27(17)21)13-33-23(34)2-3-24(33)35;1-15(31-23(32)5-6-24(31)33)22-14-20-26(36-22)18(7-8-29-20)19-13-17(28)11-16-12-21(35-25(16)19)27(34)30-9-3-2-4-10-30;1-15-9-23(32)31(26(15)33)14-18-13-21-25(36-18)19(5-6-29-21)20-12-17(28)10-16-11-22(35-24(16)20)27(34)30-7-3-2-4-8-30;27-14-7-13-8-21(25-18-11-28-5-4-19(18)30-35-25)34-24(13)17(9-14)16-3-6-29-20-10-15(36-26(16)20)12-31-22(32)1-2-23(31)33;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)28-20(13)17(10-14)16-4-5-25-18-11-15(12-24)29-21(16)18/h6-7,10,12,14,18,25H,1-5,8-9,11,13,15H2;4,7-8,10-11,22,29H,2-3,5-6,9,12-13H2,1H3;7-8,11,13-15,21H,2-6,9-10,12H2,1H3;5-6,10,12-13,15,22H,2-4,7-9,11,14H2,1H3;3,6-7,9-10,21,28H,1-2,4-5,8,11-12H2;4-5,8,10-11,19H,1-3,6-7,9,12,24H2
InChIKeyVMCCSZJYRGUINY-UHFFFAOYSA-N
MW3106.17 g/mol
LogP28.75
Rot. Bonds24

About [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 161336434) has the molecular formula C159H146Cl6N22O21S6 and a molecular weight of 3106.17 g/mol. Its IUPAC name is [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
PubChem CID161336434
Molecular FormulaC159H146Cl6N22O21S6
Molecular Weight3106.17 g/mol
Exact Mass3100.75
IUPAC Name[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)N1C(=O)CCC1=O.CC1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)CCC6=O)sc45)c3O1)CNCC2.NCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CC(N3CCC3)CC5)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1
InChIInChI=1S/C30H27ClN4O4S.C27H24ClN5O3S.2C27H26ClN3O4S.C26H21ClN4O4S.C22H22ClN3O2S/c31-17-10-16-11-25(29-22-13-18(34-8-1-9-34)2-3-23(22)33-39-29)38-28(16)21(12-17)20-6-7-32-24-14-19(40-30(20)24)15-35-26(36)4-5-27(35)37;1-32-25(19-12-29-6-5-20(19)31-32)22-9-14-8-15(28)10-18(26(14)36-22)17-4-7-30-21-11-16(37-27(17)21)13-33-23(34)2-3-24(33)35;1-15(31-23(32)5-6-24(31)33)22-14-20-26(36-22)18(7-8-29-20)19-13-17(28)11-16-12-21(35-25(16)19)27(34)30-9-3-2-4-10-30;1-15-9-23(32)31(26(15)33)14-18-13-21-25(36-18)19(5-6-29-21)20-12-17(28)10-16-11-22(35-24(16)20)27(34)30-7-3-2-4-8-30;27-14-7-13-8-21(25-18-11-28-5-4-19(18)30-35-25)34-24(13)17(9-14)16-3-6-29-20-10-15(36-26(16)20)12-31-22(32)1-2-23(31)33;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)28-20(13)17(10-14)16-4-5-25-18-11-15(12-24)29-21(16)18/h6-7,10,12,14,18,25H,1-5,8-9,11,13,15H2;4,7-8,10-11,22,29H,2-3,5-6,9,12-13H2,1H3;7-8,11,13-15,21H,2-6,9-10,12H2,1H3;5-6,10,12-13,15,22H,2-4,7-9,11,14H2,1H3;3,6-7,9-10,21,28H,1-2,4-5,8,11-12H2;4-5,8,10-11,19H,1-3,6-7,9,12,24H2
InChIKeyVMCCSZJYRGUINY-UHFFFAOYSA-N
XLogP28.75
TPSA503.75 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003106.17
LogP ≤ 528.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 161336434) is [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is CC(c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)N1C(=O)CCC1=O.CC1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.Cn1nc2c(c1C1Cc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)CCC6=O)sc45)c3O1)CNCC2.NCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CC(N3CCC3)CC5)C4)c2s1.O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.
What is the InChIKey of [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is VMCCSZJYRGUINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN4O4S.C27H24ClN5O3S.2C27H26ClN3O4S.C26H21ClN4O4S.C22H22ClN3O2S/c31-17-10-16-11-25(29-22-13-18(34-8-1-9-34)2-3-23(22)33-39-29)38-28(16)21(12-17)20-6-7-32-24-14-19(40-30(20)24)15-35-26(36)4-5-27(35)37;1-32-25(19-12-29-6-5-20(19)31-32)22-9-14-8-15(28)10-18(26(14)36-22)17-4-7-30-21-11-16(37-27(17)21)13-33-23(34)2-3-24(33)35;1-15(31-23(32)5-6-24(31)33)22-14-20-26(36-22)18(7-8-29-20)19-13-17(28)11-16-12-21(35-25(16)19)27(34)30-9-3-2-4-10-30;1-15-9-23(32)31(26(15)33)14-18-13-21-25(36-18)19(5-6-29-21)20-12-17(28)10-16-11-22(35-24(16)20)27(34)30-7-3-2-4-8-30;27-14-7-13-8-21(25-18-11-28-5-4-19(18)30-35-25)34-24(13)17(9-14)16-3-6-29-20-10-15(36-26(16)20)12-31-22(32)1-2-23(31)33;23-14-8-13-9-19(22(27)26-6-2-1-3-7-26)28-20(13)17(10-14)16-4-5-25-18-11-15(12-24)29-21(16)18/h6-7,10,12,14,18,25H,1-5,8-9,11,13,15H2;4,7-8,10-11,22,29H,2-3,5-6,9,12-13H2,1H3;7-8,11,13-15,21H,2-6,9-10,12H2,1H3;5-6,10,12-13,15,22H,2-4,7-9,11,14H2,1H3;3,6-7,9-10,21,28H,1-2,4-5,8,11-12H2;4-5,8,10-11,19H,1-3,6-7,9,12,24H2.
What are the key properties of [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?
[7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 3106.17 g/mol, XLogP of 28.75, 24 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[2-(aminomethyl)thieno[3,2-b]pyridin-7-yl]-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;1-[[7-[2-[5-(azetidin-1-yl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[[7-[5-chloro-2-(2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;1-[1-[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-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-methylpyrrolidine-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]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 161336434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).