N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide

C198H242F3N41O21S7 — CID 165107846

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.COc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1N.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3COC3)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(OC(F)(F)F)c(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C(N)=O.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C1COC1
InChIInChI=1S/C30H37N5O3S.C29H36N6O3S.C29H38N6O2S.C28H31F3N6O4S.C28H34N6O3S.C27H34N6O3S.C27H32N6O3S/c1-18-4-6-26(21-5-7-27-25(12-21)33-29(39-27)20-8-10-34(3)11-9-20)35(15-18)30(37)28(36)32-23-13-24(19(2)31-14-23)22-16-38-17-22;1-17-3-5-24(19-4-6-25-23(11-19)33-28(39-25)18-7-9-34(2)10-8-18)35(14-17)29(37)27(36)32-21-12-22(20-15-38-16-20)26(30)31-13-21;1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3;1-15-3-5-21(17-4-6-22-20(11-17)35-26(42-22)16-7-9-36(2)10-8-16)37(14-15)27(40)24(39)34-18-12-19(23(32)38)25(33-13-18)41-28(29,30)31;1-16-4-6-23(19-5-7-24-22(12-19)32-27(38-24)18-8-10-33(3)11-9-18)34(15-16)28(37)26(36)31-20-13-21(25(29)35)17(2)30-14-20;1-16-4-6-21(33(15-16)27(35)25(34)30-19-13-22(36-3)24(28)29-14-19)18-5-7-23-20(12-18)31-26(37-23)17-8-10-32(2)11-9-17;1-16-3-5-22(33(15-16)27(36)25(35)30-20-11-19(24(28)34)13-29-14-20)18-4-6-23-21(12-18)31-26(37-23)17-7-9-32(2)10-8-17/h5,7,12-14,18,20,22,26H,4,6,8-11,15-17H2,1-3H3,(H,32,36);4,6,11-13,17-18,20,24H,3,5,7-10,14-16H2,1-2H3,(H2,30,31)(H,32,36);7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36);4,6,11-13,15-16,21H,3,5,7-10,14H2,1-2H3,(H2,32,38)(H,34,39);5,7,12-14,16,18,23H,4,6,8-11,15H2,1-3H3,(H2,29,35)(H,31,36);5,7,12-14,16-17,21H,4,6,8-11,15H2,1-3H3,(H2,28,29)(H,30,34);4,6,11-14,16-17,22H,3,5,7-10,15H2,1-2H3,(H2,28,34)(H,30,35)/t18-,26+;17-,24+;17-,18+,22-,24+;15-,21+;16-,23+;16-,21+;16-,22+/m0000000/s1
InChIKeyZLFNFBCOYPBIHN-PGHUFXCGSA-N
MW3813.84 g/mol
LogP29.67
Rot. Bonds29

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 165107846) has the molecular formula C198H242F3N41O21S7 and a molecular weight of 3813.84 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID165107846
Molecular FormulaC198H242F3N41O21S7
Molecular Weight3813.84 g/mol
Exact Mass3810.71
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.COc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1N.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3COC3)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(OC(F)(F)F)c(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C(N)=O.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C1COC1
InChIInChI=1S/C30H37N5O3S.C29H36N6O3S.C29H38N6O2S.C28H31F3N6O4S.C28H34N6O3S.C27H34N6O3S.C27H32N6O3S/c1-18-4-6-26(21-5-7-27-25(12-21)33-29(39-27)20-8-10-34(3)11-9-20)35(15-18)30(37)28(36)32-23-13-24(19(2)31-14-23)22-16-38-17-22;1-17-3-5-24(19-4-6-25-23(11-19)33-28(39-25)18-7-9-34(2)10-8-18)35(14-17)29(37)27(36)32-21-12-22(20-15-38-16-20)26(30)31-13-21;1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3;1-15-3-5-21(17-4-6-22-20(11-17)35-26(42-22)16-7-9-36(2)10-8-16)37(14-15)27(40)24(39)34-18-12-19(23(32)38)25(33-13-18)41-28(29,30)31;1-16-4-6-23(19-5-7-24-22(12-19)32-27(38-24)18-8-10-33(3)11-9-18)34(15-16)28(37)26(36)31-20-13-21(25(29)35)17(2)30-14-20;1-16-4-6-21(33(15-16)27(35)25(34)30-19-13-22(36-3)24(28)29-14-19)18-5-7-23-20(12-18)31-26(37-23)17-8-10-32(2)11-9-17;1-16-3-5-22(33(15-16)27(36)25(35)30-20-11-19(24(28)34)13-29-14-20)18-4-6-23-21(12-18)31-26(37-23)17-7-9-32(2)10-8-17/h5,7,12-14,18,20,22,26H,4,6,8-11,15-17H2,1-3H3,(H,32,36);4,6,11-13,17-18,20,24H,3,5,7-10,14-16H2,1-2H3,(H2,30,31)(H,32,36);7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36);4,6,11-13,15-16,21H,3,5,7-10,14H2,1-2H3,(H2,32,38)(H,34,39);5,7,12-14,16,18,23H,4,6,8-11,15H2,1-3H3,(H2,29,35)(H,31,36);5,7,12-14,16-17,21H,4,6,8-11,15H2,1-3H3,(H2,28,29)(H,30,34);4,6,11-14,16-17,22H,3,5,7-10,15H2,1-2H3,(H2,28,34)(H,30,35)/t18-,26+;17-,24+;17-,18+,22-,24+;15-,21+;16-,23+;16-,21+;16-,22+/m0000000/s1
InChIKeyZLFNFBCOYPBIHN-PGHUFXCGSA-N
XLogP29.67
TPSA793.26 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003813.84
LogP ≤ 529.67
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Analyze N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide (CID 165107846) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.COc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cnc1N.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(N)c(C3COC3)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cnc(OC(F)(F)F)c(C(N)=O)c2)C1.C[C@H]1CC[C@H](c2ccc3sc(C4CCN(C)CC4)nc3c2)N(C(=O)C(=O)Nc2cncc(C(N)=O)c2)C1.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C(N)=O.Cc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc(C4CCN(C)CC4)nc3c2)cc1C1COC1.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is ZLFNFBCOYPBIHN-PGHUFXCGSA-N. The full InChI is InChI=1S/C30H37N5O3S.C29H36N6O3S.C29H38N6O2S.C28H31F3N6O4S.C28H34N6O3S.C27H34N6O3S.C27H32N6O3S/c1-18-4-6-26(21-5-7-27-25(12-21)33-29(39-27)20-8-10-34(3)11-9-20)35(15-18)30(37)28(36)32-23-13-24(19(2)31-14-23)22-16-38-17-22;1-17-3-5-24(19-4-6-25-23(11-19)33-28(39-25)18-7-9-34(2)10-8-18)35(14-17)29(37)27(36)32-21-12-22(20-15-38-16-20)26(30)31-13-21;1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3;1-15-3-5-21(17-4-6-22-20(11-17)35-26(42-22)16-7-9-36(2)10-8-16)37(14-15)27(40)24(39)34-18-12-19(23(32)38)25(33-13-18)41-28(29,30)31;1-16-4-6-23(19-5-7-24-22(12-19)32-27(38-24)18-8-10-33(3)11-9-18)34(15-16)28(37)26(36)31-20-13-21(25(29)35)17(2)30-14-20;1-16-4-6-21(33(15-16)27(35)25(34)30-19-13-22(36-3)24(28)29-14-19)18-5-7-23-20(12-18)31-26(37-23)17-8-10-32(2)11-9-17;1-16-3-5-22(33(15-16)27(36)25(35)30-20-11-19(24(28)34)13-29-14-20)18-4-6-23-21(12-18)31-26(37-23)17-7-9-32(2)10-8-17/h5,7,12-14,18,20,22,26H,4,6,8-11,15-17H2,1-3H3,(H,32,36);4,6,11-13,17-18,20,24H,3,5,7-10,14-16H2,1-2H3,(H2,30,31)(H,32,36);7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36);4,6,11-13,15-16,21H,3,5,7-10,14H2,1-2H3,(H2,32,38)(H,34,39);5,7,12-14,16,18,23H,4,6,8-11,15H2,1-3H3,(H2,29,35)(H,31,36);5,7,12-14,16-17,21H,4,6,8-11,15H2,1-3H3,(H2,28,29)(H,30,34);4,6,11-14,16-17,22H,3,5,7-10,15H2,1-2H3,(H2,28,34)(H,30,35)/t18-,26+;17-,24+;17-,18+,22-,24+;15-,21+;16-,23+;16-,21+;16-,22+/m0000000/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 3813.84 g/mol, XLogP of 29.67, 29 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methoxy-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;N-[6-amino-5-(oxetan-3-yl)-3-pyridinyl]-2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide;2-methyl-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 165107846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).