3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C231H249ClN42O24S8 — CID 157208152

IUPAC3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2sc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)nc2C1.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1C.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1Cl.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1OC.N#Cc1cccc2c1CCN2C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1
InChIInChI=1S/C32H34N6O3S.C31H36N4O5S.C31H36N4O4S.C30H33ClN4O4S.3C27H28N6O2S.C26H26N6O2S/c33-20-23-6-2-7-28-25(23)11-13-38(28)32(40)37-12-3-8-27(37)21-4-1-5-22(18-21)30(39)35-31-34-26-10-9-24(19-29(26)42-31)36-14-16-41-17-15-36;1-38-26-11-8-22(18-27(26)39-2)30(37)35-12-4-7-25(35)20-5-3-6-21(17-20)29(36)33-31-32-24-10-9-23(19-28(24)41-31)34-13-15-40-16-14-34;1-20-17-23(8-11-27(20)38-2)30(37)35-12-4-7-26(35)21-5-3-6-22(18-21)29(36)33-31-32-25-10-9-24(19-28(25)40-31)34-13-15-39-16-14-34;1-38-26-10-7-21(17-23(26)31)29(37)35-11-3-6-25(35)19-4-2-5-20(16-19)28(36)33-30-32-24-9-8-22(18-27(24)40-30)34-12-14-39-15-13-34;1-32-12-10-23-24(17-32)36-26(30-23)31-25(34)20-7-3-6-19(14-20)21-8-4-11-33(16-21)27(35)29-22-9-2-5-18(13-22)15-28;1-32-13-11-24-22(17-32)30-26(36-24)31-25(34)20-8-5-7-19(15-20)23-10-2-3-12-33(23)27(35)29-21-9-4-6-18(14-21)16-28;1-32-14-12-22-24(17-32)36-26(30-22)31-25(34)20-6-4-5-19(15-20)23-7-2-3-13-33(23)27(35)29-21-10-8-18(16-28)9-11-21;1-31-10-9-22-23(16-31)35-25(29-22)30-24(33)19-6-3-5-18(13-19)20-8-11-32(15-20)26(34)28-21-7-2-4-17(12-21)14-27/h1-2,4-7,18,24,27H,3,8-17,19H2,(H,34,35,39);3,5-6,8,11,17-18,23,25H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);3,5-6,8,11,17-18,24,26H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);2,4-5,7,10,16-17,22,25H,3,6,8-9,11-15,18H2,1H3,(H,32,33,36);2-3,5-7,9,13-14,21H,4,8,10-12,16-17H2,1H3,(H,29,35)(H,30,31,34);4-9,14-15,23H,2-3,10-13,17H2,1H3,(H,29,35)(H,30,31,34);4-6,8-11,15,23H,2-3,7,12-14,17H2,1H3,(H,29,35)(H,30,31,34);2-7,12-13,20H,8-11,15-16H2,1H3,(H,28,34)(H,29,30,33)/t24-,27+;23-,25+;24-,26+;22-,25+;;;;/m0000..../s1
InChIKeyAROWLEACIPJRLP-QCHMVSCLSA-N
MW4289.79 g/mol
LogP38.43
Rot. Bonds39

About 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 157208152) has the molecular formula C231H249ClN42O24S8 and a molecular weight of 4289.79 g/mol. Its IUPAC name is 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID157208152
Molecular FormulaC231H249ClN42O24S8
Molecular Weight4289.79 g/mol
Exact Mass4285.70
IUPAC Name3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2sc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)nc2C1.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1C.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1Cl.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1OC.N#Cc1cccc2c1CCN2C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1
InChIInChI=1S/C32H34N6O3S.C31H36N4O5S.C31H36N4O4S.C30H33ClN4O4S.3C27H28N6O2S.C26H26N6O2S/c33-20-23-6-2-7-28-25(23)11-13-38(28)32(40)37-12-3-8-27(37)21-4-1-5-22(18-21)30(39)35-31-34-26-10-9-24(19-29(26)42-31)36-14-16-41-17-15-36;1-38-26-11-8-22(18-27(26)39-2)30(37)35-12-4-7-25(35)20-5-3-6-21(17-20)29(36)33-31-32-24-10-9-23(19-28(24)41-31)34-13-15-40-16-14-34;1-20-17-23(8-11-27(20)38-2)30(37)35-12-4-7-26(35)21-5-3-6-22(18-21)29(36)33-31-32-25-10-9-24(19-28(25)40-31)34-13-15-39-16-14-34;1-38-26-10-7-21(17-23(26)31)29(37)35-11-3-6-25(35)19-4-2-5-20(16-19)28(36)33-30-32-24-9-8-22(18-27(24)40-30)34-12-14-39-15-13-34;1-32-12-10-23-24(17-32)36-26(30-23)31-25(34)20-7-3-6-19(14-20)21-8-4-11-33(16-21)27(35)29-22-9-2-5-18(13-22)15-28;1-32-13-11-24-22(17-32)30-26(36-24)31-25(34)20-8-5-7-19(15-20)23-10-2-3-12-33(23)27(35)29-21-9-4-6-18(14-21)16-28;1-32-14-12-22-24(17-32)36-26(30-22)31-25(34)20-6-4-5-19(15-20)23-7-2-3-13-33(23)27(35)29-21-10-8-18(16-28)9-11-21;1-31-10-9-22-23(16-31)35-25(29-22)30-24(33)19-6-3-5-18(13-19)20-8-11-32(15-20)26(34)28-21-7-2-4-17(12-21)14-27/h1-2,4-7,18,24,27H,3,8-17,19H2,(H,34,35,39);3,5-6,8,11,17-18,23,25H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);3,5-6,8,11,17-18,24,26H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);2,4-5,7,10,16-17,22,25H,3,6,8-9,11-15,18H2,1H3,(H,32,33,36);2-3,5-7,9,13-14,21H,4,8,10-12,16-17H2,1H3,(H,29,35)(H,30,31,34);4-9,14-15,23H,2-3,10-13,17H2,1H3,(H,29,35)(H,30,31,34);4-6,8-11,15,23H,2-3,7,12-14,17H2,1H3,(H,29,35)(H,30,31,34);2-7,12-13,20H,8-11,15-16H2,1H3,(H,28,34)(H,29,30,33)/t24-,27+;23-,25+;24-,26+;22-,25+;;;;/m0000..../s1
InChIKeyAROWLEACIPJRLP-QCHMVSCLSA-N
XLogP38.43
TPSA768.47 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds39
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004289.79
LogP ≤ 538.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide with MolForge

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What is the IUPAC name of 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 157208152) is 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is CN1CCc2nc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCN(C(=O)Nc5cccc(C#N)c5)C4)c3)sc2C1.CN1CCc2sc(NC(=O)c3cccc(C4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)nc2C1.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1C.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1Cl.COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1OC.N#Cc1cccc2c1CCN2C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1.
What is the InChIKey of 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is AROWLEACIPJRLP-QCHMVSCLSA-N. The full InChI is InChI=1S/C32H34N6O3S.C31H36N4O5S.C31H36N4O4S.C30H33ClN4O4S.3C27H28N6O2S.C26H26N6O2S/c33-20-23-6-2-7-28-25(23)11-13-38(28)32(40)37-12-3-8-27(37)21-4-1-5-22(18-21)30(39)35-31-34-26-10-9-24(19-29(26)42-31)36-14-16-41-17-15-36;1-38-26-11-8-22(18-27(26)39-2)30(37)35-12-4-7-25(35)20-5-3-6-21(17-20)29(36)33-31-32-24-10-9-23(19-28(24)41-31)34-13-15-40-16-14-34;1-20-17-23(8-11-27(20)38-2)30(37)35-12-4-7-26(35)21-5-3-6-22(18-21)29(36)33-31-32-25-10-9-24(19-28(25)40-31)34-13-15-39-16-14-34;1-38-26-10-7-21(17-23(26)31)29(37)35-11-3-6-25(35)19-4-2-5-20(16-19)28(36)33-30-32-24-9-8-22(18-27(24)40-30)34-12-14-39-15-13-34;1-32-12-10-23-24(17-32)36-26(30-23)31-25(34)20-7-3-6-19(14-20)21-8-4-11-33(16-21)27(35)29-22-9-2-5-18(13-22)15-28;1-32-13-11-24-22(17-32)30-26(36-24)31-25(34)20-8-5-7-19(15-20)23-10-2-3-12-33(23)27(35)29-21-9-4-6-18(14-21)16-28;1-32-14-12-22-24(17-32)36-26(30-22)31-25(34)20-6-4-5-19(15-20)23-7-2-3-13-33(23)27(35)29-21-10-8-18(16-28)9-11-21;1-31-10-9-22-23(16-31)35-25(29-22)30-24(33)19-6-3-5-18(13-19)20-8-11-32(15-20)26(34)28-21-7-2-4-17(12-21)14-27/h1-2,4-7,18,24,27H,3,8-17,19H2,(H,34,35,39);3,5-6,8,11,17-18,23,25H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);3,5-6,8,11,17-18,24,26H,4,7,9-10,12-16,19H2,1-2H3,(H,32,33,36);2,4-5,7,10,16-17,22,25H,3,6,8-9,11-15,18H2,1H3,(H,32,33,36);2-3,5-7,9,13-14,21H,4,8,10-12,16-17H2,1H3,(H,29,35)(H,30,31,34);4-9,14-15,23H,2-3,10-13,17H2,1H3,(H,29,35)(H,30,31,34);4-6,8-11,15,23H,2-3,7,12-14,17H2,1H3,(H,29,35)(H,30,31,34);2-7,12-13,20H,8-11,15-16H2,1H3,(H,28,34)(H,29,30,33)/t24-,27+;23-,25+;24-,26+;22-,25+;;;;/m0000..../s1.
What are the key properties of 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 4289.79 g/mol, XLogP of 38.43, 39 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(4-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide;N-(3-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(3,4-dimethoxybenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[(2R)-1-(4-methoxy-3-methylbenzoyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 157208152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).