tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one

C182H184F8N18O20S6 — CID 158860919

IUPACtert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(C)=O.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)nc1)C(C)=O.CN(C)[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)C1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCCC5=O)cn4)sc23)c(F)c1)CC1CCC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CCC1
InChIInChI=1S/C34H37F2N3O4S.C31H31F2N3O3S.C31H32FN3O3S.C30H28FN3O3S.C29H26FN3O4S.C27H30FN3O3S/c1-5-15-39(33(41)43-34(2,3)4)20-22-9-11-25(38-19-22)29-18-26-32(44-29)28(13-14-37-26)42-27-12-10-23(30(35)31(27)36)17-24(40)16-21-7-6-8-21;1-3-13-36(19(2)37)18-21-7-9-24(35-17-21)28-16-25-31(40-28)27(11-12-34-25)39-26-10-8-22(29(32)30(26)33)15-23(38)14-20-5-4-6-20;1-3-13-35(20(2)36)19-23-7-9-26(34-18-23)30-17-27-31(39-30)29(11-12-33-27)38-28-10-8-22(16-25(28)32)15-24(37)14-21-5-4-6-21;31-23-15-20(14-22(35)13-19-3-1-4-19)7-9-26(23)37-27-10-11-32-25-16-28(38-30(25)27)24-8-6-21(17-33-24)18-34-12-2-5-29(34)36;30-22-14-19(13-21(34)12-18-2-1-3-18)5-7-25(22)37-26-8-9-31-24-15-27(38-28(24)26)23-6-4-20(16-32-23)17-33-10-11-36-29(33)35;1-30(2)19-9-11-31(16-19)27(33)25-15-22-26(35-25)24(8-10-29-22)34-23-7-6-18(14-21(23)28)13-20(32)12-17-4-3-5-17/h9-14,18-19,21H,5-8,15-17,20H2,1-4H3;7-12,16-17,20H,3-6,13-15,18H2,1-2H3;7-12,16-18,21H,3-6,13-15,19H2,1-2H3;6-11,15-17,19H,1-5,12-14,18H2;4-9,14-16,18H,1-3,10-13,17H2;6-8,10,14-15,17,19H,3-5,9,11-13,16H2,1-2H3/t;;;;;19-/m.....0/s1
InChIKeyJAQHXQBZQJIWSF-IUBGKRGVSA-N
MW3287.97 g/mol
LogP42.28
Rot. Bonds59

About tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one

tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 158860919) has the molecular formula C182H184F8N18O20S6 and a molecular weight of 3287.97 g/mol. Its IUPAC name is tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Nametert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID158860919
Molecular FormulaC182H184F8N18O20S6
Molecular Weight3287.97 g/mol
Exact Mass3285.21
IUPAC Nametert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(C)=O.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)nc1)C(C)=O.CN(C)[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)C1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCCC5=O)cn4)sc23)c(F)c1)CC1CCC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CCC1
InChIInChI=1S/C34H37F2N3O4S.C31H31F2N3O3S.C31H32FN3O3S.C30H28FN3O3S.C29H26FN3O4S.C27H30FN3O3S/c1-5-15-39(33(41)43-34(2,3)4)20-22-9-11-25(38-19-22)29-18-26-32(44-29)28(13-14-37-26)42-27-12-10-23(30(35)31(27)36)17-24(40)16-21-7-6-8-21;1-3-13-36(19(2)37)18-21-7-9-24(35-17-21)28-16-25-31(40-28)27(11-12-34-25)39-26-10-8-22(29(32)30(26)33)15-23(38)14-20-5-4-6-20;1-3-13-35(20(2)36)19-23-7-9-26(34-18-23)30-17-27-31(39-30)29(11-12-33-27)38-28-10-8-22(16-25(28)32)15-24(37)14-21-5-4-6-21;31-23-15-20(14-22(35)13-19-3-1-4-19)7-9-26(23)37-27-10-11-32-25-16-28(38-30(25)27)24-8-6-21(17-33-24)18-34-12-2-5-29(34)36;30-22-14-19(13-21(34)12-18-2-1-3-18)5-7-25(22)37-26-8-9-31-24-15-27(38-28(24)26)23-6-4-20(16-32-23)17-33-10-11-36-29(33)35;1-30(2)19-9-11-31(16-19)27(33)25-15-22-26(35-25)24(8-10-29-22)34-23-7-6-18(14-21(23)28)13-20(32)12-17-4-3-5-17/h9-14,18-19,21H,5-8,15-17,20H2,1-4H3;7-12,16-17,20H,3-6,13-15,18H2,1-2H3;7-12,16-18,21H,3-6,13-15,19H2,1-2H3;6-11,15-17,19H,1-5,12-14,18H2;4-9,14-16,18H,1-3,10-13,17H2;6-8,10,14-15,17,19H,3-5,9,11-13,16H2,1-2H3/t;;;;;19-/m.....0/s1
InChIKeyJAQHXQBZQJIWSF-IUBGKRGVSA-N
XLogP42.28
TPSA443.15 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds59
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003287.97
LogP ≤ 542.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one (CID 158860919) is tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one is CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(=O)OC(C)(C)C.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)c(F)c4F)c3s2)nc1)C(C)=O.CCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)nc1)C(C)=O.CN(C)[C@H]1CCN(C(=O)c2cc3nccc(Oc4ccc(CC(=O)CC5CCC5)cc4F)c3s2)C1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCCC5=O)cn4)sc23)c(F)c1)CC1CCC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CCC1.
What is the InChIKey of tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is JAQHXQBZQJIWSF-IUBGKRGVSA-N. The full InChI is InChI=1S/C34H37F2N3O4S.C31H31F2N3O3S.C31H32FN3O3S.C30H28FN3O3S.C29H26FN3O4S.C27H30FN3O3S/c1-5-15-39(33(41)43-34(2,3)4)20-22-9-11-25(38-19-22)29-18-26-32(44-29)28(13-14-37-26)42-27-12-10-23(30(35)31(27)36)17-24(40)16-21-7-6-8-21;1-3-13-36(19(2)37)18-21-7-9-24(35-17-21)28-16-25-31(40-28)27(11-12-34-25)39-26-10-8-22(29(32)30(26)33)15-23(38)14-20-5-4-6-20;1-3-13-35(20(2)36)19-23-7-9-26(34-18-23)30-17-27-31(39-30)29(11-12-33-27)38-28-10-8-22(16-25(28)32)15-24(37)14-21-5-4-6-21;31-23-15-20(14-22(35)13-19-3-1-4-19)7-9-26(23)37-27-10-11-32-25-16-28(38-30(25)27)24-8-6-21(17-33-24)18-34-12-2-5-29(34)36;30-22-14-19(13-21(34)12-18-2-1-3-18)5-7-25(22)37-26-8-9-31-24-15-27(38-28(24)26)23-6-4-20(16-32-23)17-33-10-11-36-29(33)35;1-30(2)19-9-11-31(16-19)27(33)25-15-22-26(35-25)24(8-10-29-22)34-23-7-6-18(14-21(23)28)13-20(32)12-17-4-3-5-17/h9-14,18-19,21H,5-8,15-17,20H2,1-4H3;7-12,16-17,20H,3-6,13-15,18H2,1-2H3;7-12,16-18,21H,3-6,13-15,19H2,1-2H3;6-11,15-17,19H,1-5,12-14,18H2;4-9,14-16,18H,1-3,10-13,17H2;6-8,10,14-15,17,19H,3-5,9,11-13,16H2,1-2H3/t;;;;;19-/m.....0/s1.
What are the key properties of tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one?
tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 3287.97 g/mol, XLogP of 42.28, 59 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate;1-cyclobutyl-3-[4-[2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]propan-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;3-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one;N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide;1-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 158860919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).