1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide

C244H240N48O22S8 — CID 157282765

IUPAC1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cn[nH]c5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cccc(O)c5cc4O)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5nnc(N)s5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cncnc5)c4)c3)cc2C1.Cc1c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)nnn1-c1nonc1N
InChIInChI=1S/C30H28N4O2.C29H27N5O2.C29H27N3O4.C28H29N5O2S.C27H26N6O2S.C27H27N5O2S2.C25H26N6O2S2.C25H25N5O3S2.C24H25N9O3/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24;1-34-11-10-21-8-9-27(14-25(21)18-34)33-29(36)23-6-2-4-20(12-23)15-32-28(35)24-7-3-5-22(13-24)26-16-30-19-31-17-26;1-32-11-10-19-8-9-23(13-22(19)17-32)31-28(35)21-6-2-4-18(12-21)16-30-29(36)25-14-20-5-3-7-26(33)24(20)15-27(25)34;1-33(2)23-9-10-24-25(15-23)36-28(31-24)32-27(35)20-7-3-5-18(13-20)16-30-26(34)21-8-4-6-19(14-21)22-11-12-29-17-22;1-33-12-11-18-9-10-23(14-22(18)16-33)30-25(35)21-4-2-3-17(13-21)15-29-24(34)19-5-7-20(8-6-19)26-31-32-27(28)36-26;1-32(2)20-6-7-21-24(15-20)36-27(30-21)31-25(33)19-5-3-4-17(14-19)16-29-26(34)23-9-8-22(35-23)18-10-12-28-13-11-18;1-31(2)18-6-7-19-22(11-18)35-25(29-19)30-23(32)16-5-3-4-15(10-16)12-26-24(33)21-9-8-20(34-21)17-13-27-28-14-17;1-30(2)17-6-7-18-22(11-17)35-25(28-18)29-23(31)16-5-3-4-15(10-16)12-27-24(32)21-9-8-20(34-21)19-13-26-14-33-19;1-14-20(28-31-33(14)22-21(25)29-36-30-22)24(35)26-12-15-4-3-5-17(10-15)23(34)27-19-7-6-16-8-9-32(2)13-18(16)11-19/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36);2-9,12-14,16-17,19H,10-11,15,18H2,1H3,(H,32,35)(H,33,36);2-9,12-15,33-34H,10-11,16-17H2,1H3,(H,30,36)(H,31,35);3-8,11,13-14,17,23H,9-10,12,15-16H2,1-2H3,(H,30,34)(H,31,32,35);2-10,13-14H,11-12,15-16H2,1H3,(H2,28,32)(H,29,34)(H,30,35);3-5,8-14,20H,6-7,15-16H2,1-2H3,(H,29,34)(H,30,31,33);3-5,8-10,13-14,18H,6-7,11-12H2,1-2H3,(H,26,33)(H,27,28)(H,29,30,32);3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3,(H,27,32)(H,28,29,31);3-7,10-11H,8-9,12-13H2,1-2H3,(H2,25,29)(H,26,35)(H,27,34)/t;;;23-;;20-;18-;17-;/m...0.000./s1
InChIKeyAZVZOCDZKNGIFR-XLEATWRFSA-N
MW4453.45 g/mol
LogP37.06
Rot. Bonds57

About 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide (PubChem CID 157282765) has the molecular formula C244H240N48O22S8 and a molecular weight of 4453.45 g/mol. Its IUPAC name is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide
PubChem CID157282765
Molecular FormulaC244H240N48O22S8
Molecular Weight4453.45 g/mol
Exact Mass4449.69
IUPAC Name1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cn[nH]c5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cccc(O)c5cc4O)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5nnc(N)s5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cncnc5)c4)c3)cc2C1.Cc1c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)nnn1-c1nonc1N
InChIInChI=1S/C30H28N4O2.C29H27N5O2.C29H27N3O4.C28H29N5O2S.C27H26N6O2S.C27H27N5O2S2.C25H26N6O2S2.C25H25N5O3S2.C24H25N9O3/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24;1-34-11-10-21-8-9-27(14-25(21)18-34)33-29(36)23-6-2-4-20(12-23)15-32-28(35)24-7-3-5-22(13-24)26-16-30-19-31-17-26;1-32-11-10-19-8-9-23(13-22(19)17-32)31-28(35)21-6-2-4-18(12-21)16-30-29(36)25-14-20-5-3-7-26(33)24(20)15-27(25)34;1-33(2)23-9-10-24-25(15-23)36-28(31-24)32-27(35)20-7-3-5-18(13-20)16-30-26(34)21-8-4-6-19(14-21)22-11-12-29-17-22;1-33-12-11-18-9-10-23(14-22(18)16-33)30-25(35)21-4-2-3-17(13-21)15-29-24(34)19-5-7-20(8-6-19)26-31-32-27(28)36-26;1-32(2)20-6-7-21-24(15-20)36-27(30-21)31-25(33)19-5-3-4-17(14-19)16-29-26(34)23-9-8-22(35-23)18-10-12-28-13-11-18;1-31(2)18-6-7-19-22(11-18)35-25(29-19)30-23(32)16-5-3-4-15(10-16)12-26-24(33)21-9-8-20(34-21)17-13-27-28-14-17;1-30(2)17-6-7-18-22(11-17)35-25(28-18)29-23(31)16-5-3-4-15(10-16)12-27-24(32)21-9-8-20(34-21)19-13-26-14-33-19;1-14-20(28-31-33(14)22-21(25)29-36-30-22)24(35)26-12-15-4-3-5-17(10-15)23(34)27-19-7-6-16-8-9-32(2)13-18(16)11-19/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36);2-9,12-14,16-17,19H,10-11,15,18H2,1H3,(H,32,35)(H,33,36);2-9,12-15,33-34H,10-11,16-17H2,1H3,(H,30,36)(H,31,35);3-8,11,13-14,17,23H,9-10,12,15-16H2,1-2H3,(H,30,34)(H,31,32,35);2-10,13-14H,11-12,15-16H2,1H3,(H2,28,32)(H,29,34)(H,30,35);3-5,8-14,20H,6-7,15-16H2,1-2H3,(H,29,34)(H,30,31,33);3-5,8-10,13-14,18H,6-7,11-12H2,1-2H3,(H,26,33)(H,27,28)(H,29,30,32);3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3,(H,27,32)(H,28,29,31);3-7,10-11H,8-9,12-13H2,1-2H3,(H2,25,29)(H,26,35)(H,27,34)/t;;;23-;;20-;18-;17-;/m...0.000./s1
InChIKeyAZVZOCDZKNGIFR-XLEATWRFSA-N
XLogP37.06
TPSA911.06 Ų
H-Bond Donors23
H-Bond Acceptors59
Rotatable Bonds57
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004453.45
LogP ≤ 537.06
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1059

Analyze 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide (CID 157282765) is 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide is CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cn[nH]c5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5cnco5)s4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cccc(O)c5cc4O)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5nnc(N)s5)cc4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(-c5cncnc5)c4)c3)cc2C1.Cc1c(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)nnn1-c1nonc1N.
What is the InChIKey of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is AZVZOCDZKNGIFR-XLEATWRFSA-N. The full InChI is InChI=1S/C30H28N4O2.C29H27N5O2.C29H27N3O4.C28H29N5O2S.C27H26N6O2S.C27H27N5O2S2.C25H26N6O2S2.C25H25N5O3S2.C24H25N9O3/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24;1-34-11-10-21-8-9-27(14-25(21)18-34)33-29(36)23-6-2-4-20(12-23)15-32-28(35)24-7-3-5-22(13-24)26-16-30-19-31-17-26;1-32-11-10-19-8-9-23(13-22(19)17-32)31-28(35)21-6-2-4-18(12-21)16-30-29(36)25-14-20-5-3-7-26(33)24(20)15-27(25)34;1-33(2)23-9-10-24-25(15-23)36-28(31-24)32-27(35)20-7-3-5-18(13-20)16-30-26(34)21-8-4-6-19(14-21)22-11-12-29-17-22;1-33-12-11-18-9-10-23(14-22(18)16-33)30-25(35)21-4-2-3-17(13-21)15-29-24(34)19-5-7-20(8-6-19)26-31-32-27(28)36-26;1-32(2)20-6-7-21-24(15-20)36-27(30-21)31-25(33)19-5-3-4-17(14-19)16-29-26(34)23-9-8-22(35-23)18-10-12-28-13-11-18;1-31(2)18-6-7-19-22(11-18)35-25(29-19)30-23(32)16-5-3-4-15(10-16)12-26-24(33)21-9-8-20(34-21)17-13-27-28-14-17;1-30(2)17-6-7-18-22(11-17)35-25(28-18)29-23(31)16-5-3-4-15(10-16)12-27-24(32)21-9-8-20(34-21)19-13-26-14-33-19;1-14-20(28-31-33(14)22-21(25)29-36-30-22)24(35)26-12-15-4-3-5-17(10-15)23(34)27-19-7-6-16-8-9-32(2)13-18(16)11-19/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36);2-9,12-14,16-17,19H,10-11,15,18H2,1H3,(H,32,35)(H,33,36);2-9,12-15,33-34H,10-11,16-17H2,1H3,(H,30,36)(H,31,35);3-8,11,13-14,17,23H,9-10,12,15-16H2,1-2H3,(H,30,34)(H,31,32,35);2-10,13-14H,11-12,15-16H2,1H3,(H2,28,32)(H,29,34)(H,30,35);3-5,8-14,20H,6-7,15-16H2,1-2H3,(H,29,34)(H,30,31,33);3-5,8-10,13-14,18H,6-7,11-12H2,1-2H3,(H,26,33)(H,27,28)(H,29,30,32);3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3,(H,27,32)(H,28,29,31);3-7,10-11H,8-9,12-13H2,1-2H3,(H2,25,29)(H,26,35)(H,27,34)/t;;;23-;;20-;18-;17-;/m...0.000./s1.
What are the key properties of 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide?
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 4453.45 g/mol, XLogP of 37.06, 57 rotatable bonds, 23 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide;3-[[[4-(5-amino-1,3,4-thiadiazol-2-yl)benzoyl]amino]methyl]-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide;3,5-dihydroxy-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]naphthalene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[[3-(2H-pyrrol-4-yl)benzoyl]amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[(3-pyrimidin-5-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 157282765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).