(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

C242H245N45O18S6 — CID 159652715

IUPAC(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1.N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1
InChIInChI=1S/2C32H30N6O2S.C31H33N5O2S.C30H32N6O2S.C30H31N5O3S.C29H31N7O3S.2C29H29N5O2/c2*33-19-23-9-4-12-26(17-23)34-32(40)38-15-6-13-28(38)24-10-5-11-25(18-24)30(39)36-31-35-27-14-16-37(21-29(27)41-31)20-22-7-2-1-3-8-22;1-35(2)25-11-12-26-28(18-25)39-31(33-26)34-29(37)22-8-4-7-21(17-22)27-10-5-15-36(27)30(38)23-9-3-6-20(16-23)24-13-14-32-19-24;1-34(2)24-12-13-25-27(18-24)39-30(32-25)33-28(37)22-6-3-5-21(17-22)26-7-4-15-36(26)29(38)20-8-10-23(11-9-20)35-16-14-31-19-35;1-34(2)22-10-12-24-26(17-22)39-30(32-24)33-28(37)20-6-3-5-19(16-20)25-7-4-14-35(25)29(38)21-8-11-23-18(15-21)9-13-27(36)31-23;1-34(2)20-9-10-21-24(14-20)40-29(32-21)33-27(38)18-6-3-5-17(13-18)23-7-4-12-36(23)28(39)22-16-35-15-19(26(30)37)8-11-25(35)31-22;2*1-33-14-12-21-10-11-26(17-24(21)19-33)31-28(35)23-7-3-6-22(16-23)27-9-4-13-34(27)29(36)32-25-8-2-5-20(15-25)18-30/h2*1-5,7-12,17-18,28H,6,13-16,20-21H2,(H,34,40)(H,35,36,39);3-4,6-9,13,16-17,19,25,27H,5,10-12,14-15,18H2,1-2H3,(H,33,34,37);3,5-6,8-11,14,16-17,19,24,26H,4,7,12-13,15,18H2,1-2H3,(H,32,33,37);3,5-6,8-9,11,13,15-16,22,25H,4,7,10,12,14,17H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,8,11,13,15-16,20,23H,4,7,9-10,12,14H2,1-2H3,(H2,30,37)(H,32,33,38);2*2-3,5-8,10-11,15-17,27H,4,9,12-14,19H2,1H3,(H,31,35)(H,32,36)/t2*28-;25-,27+;24-,26+;22-,25+;20-,23+;2*27-/m10000010/s1
InChIKeyMRTVZOAQNCLBIF-CMUFOVJISA-N
MW4264.32 g/mol
LogP41.13
Rot. Bonds43

About (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (PubChem CID 159652715) has the molecular formula C242H245N45O18S6 and a molecular weight of 4264.32 g/mol. Its IUPAC name is (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.

Molecular Properties

Compound Name(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
PubChem CID159652715
Molecular FormulaC242H245N45O18S6
Molecular Weight4264.32 g/mol
Exact Mass4260.80
IUPAC Name(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1.N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1
InChIInChI=1S/2C32H30N6O2S.C31H33N5O2S.C30H32N6O2S.C30H31N5O3S.C29H31N7O3S.2C29H29N5O2/c2*33-19-23-9-4-12-26(17-23)34-32(40)38-15-6-13-28(38)24-10-5-11-25(18-24)30(39)36-31-35-27-14-16-37(21-29(27)41-31)20-22-7-2-1-3-8-22;1-35(2)25-11-12-26-28(18-25)39-31(33-26)34-29(37)22-8-4-7-21(17-22)27-10-5-15-36(27)30(38)23-9-3-6-20(16-23)24-13-14-32-19-24;1-34(2)24-12-13-25-27(18-24)39-30(32-25)33-28(37)22-6-3-5-21(17-22)26-7-4-15-36(26)29(38)20-8-10-23(11-9-20)35-16-14-31-19-35;1-34(2)22-10-12-24-26(17-22)39-30(32-24)33-28(37)20-6-3-5-19(16-20)25-7-4-14-35(25)29(38)21-8-11-23-18(15-21)9-13-27(36)31-23;1-34(2)20-9-10-21-24(14-20)40-29(32-21)33-27(38)18-6-3-5-17(13-18)23-7-4-12-36(23)28(39)22-16-35-15-19(26(30)37)8-11-25(35)31-22;2*1-33-14-12-21-10-11-26(17-24(21)19-33)31-28(35)23-7-3-6-22(16-23)27-9-4-13-34(27)29(36)32-25-8-2-5-20(15-25)18-30/h2*1-5,7-12,17-18,28H,6,13-16,20-21H2,(H,34,40)(H,35,36,39);3-4,6-9,13,16-17,19,25,27H,5,10-12,14-15,18H2,1-2H3,(H,33,34,37);3,5-6,8-11,14,16-17,19,24,26H,4,7,12-13,15,18H2,1-2H3,(H,32,33,37);3,5-6,8-9,11,13,15-16,22,25H,4,7,10,12,14,17H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,8,11,13,15-16,20,23H,4,7,9-10,12,14H2,1-2H3,(H2,30,37)(H,32,33,38);2*2-3,5-8,10-11,15-17,27H,4,9,12-14,19H2,1H3,(H,31,35)(H,32,36)/t2*28-;25-,27+;24-,26+;22-,25+;20-,23+;2*27-/m10000010/s1
InChIKeyMRTVZOAQNCLBIF-CMUFOVJISA-N
XLogP41.13
TPSA765.25 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds43
Heavy Atoms311
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004264.32
LogP ≤ 541.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The IUPAC name of (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (CID 159652715) is (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.
What is the SMILES notation for (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The canonical SMILES for (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-n5ccnc5)cc4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.CN1CCc2ccc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)cc2C1.N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1.N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2)c1.
What is the InChIKey of (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The InChIKey is MRTVZOAQNCLBIF-CMUFOVJISA-N. The full InChI is InChI=1S/2C32H30N6O2S.C31H33N5O2S.C30H32N6O2S.C30H31N5O3S.C29H31N7O3S.2C29H29N5O2/c2*33-19-23-9-4-12-26(17-23)34-32(40)38-15-6-13-28(38)24-10-5-11-25(18-24)30(39)36-31-35-27-14-16-37(21-29(27)41-31)20-22-7-2-1-3-8-22;1-35(2)25-11-12-26-28(18-25)39-31(33-26)34-29(37)22-8-4-7-21(17-22)27-10-5-15-36(27)30(38)23-9-3-6-20(16-23)24-13-14-32-19-24;1-34(2)24-12-13-25-27(18-24)39-30(32-25)33-28(37)22-6-3-5-21(17-22)26-7-4-15-36(26)29(38)20-8-10-23(11-9-20)35-16-14-31-19-35;1-34(2)22-10-12-24-26(17-22)39-30(32-24)33-28(37)20-6-3-5-19(16-20)25-7-4-14-35(25)29(38)21-8-11-23-18(15-21)9-13-27(36)31-23;1-34(2)20-9-10-21-24(14-20)40-29(32-21)33-27(38)18-6-3-5-17(13-18)23-7-4-12-36(23)28(39)22-16-35-15-19(26(30)37)8-11-25(35)31-22;2*1-33-14-12-21-10-11-26(17-24(21)19-33)31-28(35)23-7-3-6-22(16-23)27-9-4-13-34(27)29(36)32-25-8-2-5-20(15-25)18-30/h2*1-5,7-12,17-18,28H,6,13-16,20-21H2,(H,34,40)(H,35,36,39);3-4,6-9,13,16-17,19,25,27H,5,10-12,14-15,18H2,1-2H3,(H,33,34,37);3,5-6,8-11,14,16-17,19,24,26H,4,7,12-13,15,18H2,1-2H3,(H,32,33,37);3,5-6,8-9,11,13,15-16,22,25H,4,7,10,12,14,17H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,8,11,13,15-16,20,23H,4,7,9-10,12,14H2,1-2H3,(H2,30,37)(H,32,33,38);2*2-3,5-8,10-11,15-17,27H,4,9,12-14,19H2,1H3,(H,31,35)(H,32,36)/t2*28-;25-,27+;24-,26+;22-,25+;20-,23+;2*27-/m10000010/s1.
What are the key properties of (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
(2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide has a molecular weight of 4264.32 g/mol, XLogP of 41.13, 43 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-2-[3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-(3-cyanophenyl)pyrrolidine-1-carboxamide;(2R)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;(2S)-N-(3-cyanophenyl)-2-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;2-[(2R)-2-[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(4-imidazol-1-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is sourced from PubChem (CID 159652715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).