3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide

C171H176Cl7N23O25S11 — CID 158434205

IUPAC3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide
SMILESCC(=O)N(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)NS(C)(=O)=O.CCC(OC)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CS(=O)(=O)NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.NS(=O)(=O)CCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C25H29ClN4O4S2.C25H28ClN3O4S2.2C25H24ClN3O3S.C25H26ClN3O3S.C23H21ClN4O4S2.C23H24ClN3O4S2/c1-29(2)36(32,33)28-9-6-18-15-21-24(35-18)19(7-8-27-21)20-14-17(26)12-16-13-22(34-23(16)20)25(31)30-10-4-3-5-11-30;1-15(28-35(2,31)32)10-18-14-21-24(34-18)19(6-7-27-21)20-13-17(26)11-16-12-22(33-23(16)20)25(30)29-8-4-3-5-9-29;1-3-20(30-2)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-2-3-20(30)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-15(30)28(2)14-18-13-21-24(33-18)19(6-7-27-21)20-12-17(26)10-16-11-22(32-23(16)20)25(31)29-8-4-3-5-9-29;1-34(29,30)27-10-14-9-19-23(33-14)15(2-5-26-19)16-8-13(24)6-12-7-20(31-21(12)16)22-17-11-25-4-3-18(17)28-32-22;24-15-10-14-11-20(23(28)27-7-2-1-3-8-27)31-21(14)18(12-15)17-4-6-26-19-13-16(32-22(17)19)5-9-33(25,29)30/h7-8,12,14-15,22,28H,3-6,9-11,13H2,1-2H3;6-7,11,13-15,22,28H,3-5,8-10,12H2,1-2H3;4,7-8,10-11,20-21,27H,3,5-6,9,12H2,1-2H3;4,7-8,10-11,20-21,27,30H,2-3,5-6,9,12H2,1H3;6-7,10,12-13,22H,3-5,8-9,11,14H2,1-2H3;2,5-6,8-9,20,25,27H,3-4,7,10-11H2,1H3;4,6,10,12-13,20H,1-3,5,7-9,11H2,(H2,25,29,30)
InChIKeyHCAILBMMNXPFNP-UHFFFAOYSA-N
MW3554.33 g/mol
LogP32.72
Rot. Bonds37

About 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide

3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide (PubChem CID 158434205) has the molecular formula C171H176Cl7N23O25S11 and a molecular weight of 3554.33 g/mol. Its IUPAC name is 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide.

Molecular Properties

Compound Name3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide
PubChem CID158434205
Molecular FormulaC171H176Cl7N23O25S11
Molecular Weight3554.33 g/mol
Exact Mass3547.80
IUPAC Name3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide
SMILESCC(=O)N(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)NS(C)(=O)=O.CCC(OC)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CS(=O)(=O)NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.NS(=O)(=O)CCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1
InChIInChI=1S/C25H29ClN4O4S2.C25H28ClN3O4S2.2C25H24ClN3O3S.C25H26ClN3O3S.C23H21ClN4O4S2.C23H24ClN3O4S2/c1-29(2)36(32,33)28-9-6-18-15-21-24(35-18)19(7-8-27-21)20-14-17(26)12-16-13-22(34-23(16)20)25(31)30-10-4-3-5-11-30;1-15(28-35(2,31)32)10-18-14-21-24(34-18)19(6-7-27-21)20-13-17(26)11-16-12-22(33-23(16)20)25(30)29-8-4-3-5-9-29;1-3-20(30-2)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-2-3-20(30)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-15(30)28(2)14-18-13-21-24(33-18)19(6-7-27-21)20-12-17(26)10-16-11-22(32-23(16)20)25(31)29-8-4-3-5-9-29;1-34(29,30)27-10-14-9-19-23(33-14)15(2-5-26-19)16-8-13(24)6-12-7-20(31-21(12)16)22-17-11-25-4-3-18(17)28-32-22;24-15-10-14-11-20(23(28)27-7-2-1-3-8-27)31-21(14)18(12-15)17-4-6-26-19-13-16(32-22(17)19)5-9-33(25,29)30/h7-8,12,14-15,22,28H,3-6,9-11,13H2,1-2H3;6-7,11,13-15,22,28H,3-5,8-10,12H2,1-2H3;4,7-8,10-11,20-21,27H,3,5-6,9,12H2,1-2H3;4,7-8,10-11,20-21,27,30H,2-3,5-6,9,12H2,1H3;6-7,10,12-13,22H,3-5,8-9,11,14H2,1-2H3;2,5-6,8-9,20,25,27H,3-4,7,10-11H2,1H3;4,6,10,12-13,20H,1-3,5,7-9,11H2,(H2,25,29,30)
InChIKeyHCAILBMMNXPFNP-UHFFFAOYSA-N
XLogP32.72
TPSA601.94 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds37
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003554.33
LogP ≤ 532.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide?
The IUPAC name of 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide (CID 158434205) is 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide.
What is the SMILES notation for 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide?
The canonical SMILES for 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide is CC(=O)N(C)Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(Cc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1)NS(C)(=O)=O.CCC(OC)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CCCC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.CN(C)S(=O)(=O)NCCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CS(=O)(=O)NCc1cc2nccc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2s1.NS(=O)(=O)CCc1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.
What is the InChIKey of 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide?
The InChIKey is HCAILBMMNXPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4S2.C25H28ClN3O4S2.2C25H24ClN3O3S.C25H26ClN3O3S.C23H21ClN4O4S2.C23H24ClN3O4S2/c1-29(2)36(32,33)28-9-6-18-15-21-24(35-18)19(7-8-27-21)20-14-17(26)12-16-13-22(34-23(16)20)25(31)30-10-4-3-5-11-30;1-15(28-35(2,31)32)10-18-14-21-24(34-18)19(6-7-27-21)20-13-17(26)11-16-12-22(33-23(16)20)25(30)29-8-4-3-5-9-29;1-3-20(30-2)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-2-3-20(30)22-11-19-25(33-22)15(4-7-28-19)16-10-14(26)8-13-9-21(31-23(13)16)24-17-12-27-6-5-18(17)29-32-24;1-15(30)28(2)14-18-13-21-24(33-18)19(6-7-27-21)20-12-17(26)10-16-11-22(32-23(16)20)25(31)29-8-4-3-5-9-29;1-34(29,30)27-10-14-9-19-23(33-14)15(2-5-26-19)16-8-13(24)6-12-7-20(31-21(12)16)22-17-11-25-4-3-18(17)28-32-22;24-15-10-14-11-20(23(28)27-7-2-1-3-8-27)31-21(14)18(12-15)17-4-6-26-19-13-16(32-22(17)19)5-9-33(25,29)30/h7-8,12,14-15,22,28H,3-6,9-11,13H2,1-2H3;6-7,11,13-15,22,28H,3-5,8-10,12H2,1-2H3;4,7-8,10-11,20-21,27H,3,5-6,9,12H2,1-2H3;4,7-8,10-11,20-21,27,30H,2-3,5-6,9,12H2,1H3;6-7,10,12-13,22H,3-5,8-9,11,14H2,1-2H3;2,5-6,8-9,20,25,27H,3-4,7,10-11H2,1H3;4,6,10,12-13,20H,1-3,5,7-9,11H2,(H2,25,29,30).
What are the key properties of 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide?
3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide has a molecular weight of 3554.33 g/mol, XLogP of 32.72, 37 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-7-[2-(1-methoxypropyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-2-[2-(dimethylsulfamoylamino)ethyl]thieno[3,2-b]pyridine;2-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]ethanesulfonamide;N-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-N-methylacetamide;N-[1-[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]propan-2-yl]methanesulfonamide;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]butan-1-ol;N-[[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]methanesulfonamide is sourced from PubChem (CID 158434205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).