N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

C227H228N44O20S9 — CID 160654462

IUPACN-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccn[nH]5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.N#CC1=CC2=CC(C(=O)N3CCC[C@@H]3c3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCOCC4)CC5)c3)=CC2C=C1
InChIInChI=1S/C33H33N5O3S.C30H29N5O2S.C29H29N5O2S.C28H28N6O2S.C28H27N5O3S.C27H26N6O2S2.2C26H28N6O3S/c34-20-21-6-7-22-16-26(18-25(22)15-21)32(40)38-10-2-5-29(38)23-3-1-4-24(17-23)31(39)36-33-35-28-9-8-27(19-30(28)42-33)37-11-13-41-14-12-37;1-34-16-13-25-27(19-34)38-30(32-25)33-28(36)23-6-2-5-22(17-23)26-8-4-15-35(26)29(37)21-11-9-20(10-12-21)24-7-3-14-31-18-24;1-33-14-11-24-26(18-33)37-29(31-24)32-27(35)21-7-3-6-20(16-21)25-9-4-13-34(25)28(36)22-8-2-5-19(15-22)23-10-12-30-17-23;1-33-15-12-23-25(17-33)37-28(30-23)31-26(35)21-5-2-4-20(16-21)24-6-3-14-34(24)27(36)19-9-7-18(8-10-19)22-11-13-29-32-22;1-32-13-11-22-24(16-32)37-28(30-22)31-26(35)19-5-2-4-18(15-19)23-6-3-12-33(23)27(36)20-7-9-21-17(14-20)8-10-25(34)29-21;1-32-13-11-21-24(15-32)37-27(28-21)29-25(34)20-5-2-4-19(14-20)23-6-3-12-33(23)26(35)18-9-7-17(8-10-18)22-16-36-31-30-22;1-31-12-10-20-22(15-31)36-25(29-20)30-24(34)18-7-2-5-16(13-18)21-9-4-11-32(21)26(35)28-19-8-3-6-17(14-19)23(27)33;1-31-13-11-20-22(15-31)36-25(29-20)30-24(34)18-5-2-4-17(14-18)21-6-3-12-32(21)26(35)28-19-9-7-16(8-10-19)23(27)33/h1,3-4,6-7,15-18,22,27,29H,2,5,8-14,19H2,(H,35,36,39);2-3,5-7,9-12,14,17-18,26H,4,8,13,15-16,19H2,1H3,(H,32,33,36);2-3,5-8,10,15-17,25H,4,9,11-14,18H2,1H3,(H,31,32,35);2,4-5,7-11,13,16,24H,3,6,12,14-15,17H2,1H3,(H,29,32)(H,30,31,35);2,4-5,7-10,14-15,23H,3,6,11-13,16H2,1H3,(H,29,34)(H,30,31,35);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);2-3,5-8,13-14,21H,4,9-12,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34);2,4-5,7-10,14,21H,3,6,11-13,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34)/t22?,27-,29+;26-;25-;24-;2*23-;;/m011111../s1
InChIKeyRKWBWILQHFQIKB-PQJKHIKLSA-N
MW4181.21 g/mol
LogP36.54
Rot. Bonds39

About N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide

N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (PubChem CID 160654462) has the molecular formula C227H228N44O20S9 and a molecular weight of 4181.21 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
PubChem CID160654462
Molecular FormulaC227H228N44O20S9
Molecular Weight4181.21 g/mol
Exact Mass4177.57
IUPAC NameN-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide
SMILESCN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccn[nH]5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.N#CC1=CC2=CC(C(=O)N3CCC[C@@H]3c3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCOCC4)CC5)c3)=CC2C=C1
InChIInChI=1S/C33H33N5O3S.C30H29N5O2S.C29H29N5O2S.C28H28N6O2S.C28H27N5O3S.C27H26N6O2S2.2C26H28N6O3S/c34-20-21-6-7-22-16-26(18-25(22)15-21)32(40)38-10-2-5-29(38)23-3-1-4-24(17-23)31(39)36-33-35-28-9-8-27(19-30(28)42-33)37-11-13-41-14-12-37;1-34-16-13-25-27(19-34)38-30(32-25)33-28(36)23-6-2-5-22(17-23)26-8-4-15-35(26)29(37)21-11-9-20(10-12-21)24-7-3-14-31-18-24;1-33-14-11-24-26(18-33)37-29(31-24)32-27(35)21-7-3-6-20(16-21)25-9-4-13-34(25)28(36)22-8-2-5-19(15-22)23-10-12-30-17-23;1-33-15-12-23-25(17-33)37-28(30-23)31-26(35)21-5-2-4-20(16-21)24-6-3-14-34(24)27(36)19-9-7-18(8-10-19)22-11-13-29-32-22;1-32-13-11-22-24(16-32)37-28(30-22)31-26(35)19-5-2-4-18(15-19)23-6-3-12-33(23)27(36)20-7-9-21-17(14-20)8-10-25(34)29-21;1-32-13-11-21-24(15-32)37-27(28-21)29-25(34)20-5-2-4-19(14-20)23-6-3-12-33(23)26(35)18-9-7-17(8-10-18)22-16-36-31-30-22;1-31-12-10-20-22(15-31)36-25(29-20)30-24(34)18-7-2-5-16(13-18)21-9-4-11-32(21)26(35)28-19-8-3-6-17(14-19)23(27)33;1-31-13-11-20-22(15-31)36-25(29-20)30-24(34)18-5-2-4-17(14-18)21-6-3-12-32(21)26(35)28-19-9-7-16(8-10-19)23(27)33/h1,3-4,6-7,15-18,22,27,29H,2,5,8-14,19H2,(H,35,36,39);2-3,5-7,9-12,14,17-18,26H,4,8,13,15-16,19H2,1H3,(H,32,33,36);2-3,5-8,10,15-17,25H,4,9,11-14,18H2,1H3,(H,31,32,35);2,4-5,7-11,13,16,24H,3,6,12,14-15,17H2,1H3,(H,29,32)(H,30,31,35);2,4-5,7-10,14-15,23H,3,6,11-13,16H2,1H3,(H,29,34)(H,30,31,35);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);2-3,5-8,13-14,21H,4,9-12,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34);2,4-5,7-10,14,21H,3,6,11-13,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34)/t22?,27-,29+;26-;25-;24-;2*23-;;/m011111../s1
InChIKeyRKWBWILQHFQIKB-PQJKHIKLSA-N
XLogP36.54
TPSA780.15 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds39
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004181.21
LogP ≤ 536.54
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Analyze N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide with MolForge

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What is the IUPAC name of N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide (CID 160654462) is N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is CN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4ccc(C(N)=O)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc(C4CCCN4C(=O)Nc4cccc(C(N)=O)c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cccnc5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccn[nH]5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5[nH]c(=O)ccc5c4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cccc(C5=CCN=C5)c4)c3)sc2C1.N#CC1=CC2=CC(C(=O)N3CCC[C@@H]3c3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCOCC4)CC5)c3)=CC2C=C1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
The InChIKey is RKWBWILQHFQIKB-PQJKHIKLSA-N. The full InChI is InChI=1S/C33H33N5O3S.C30H29N5O2S.C29H29N5O2S.C28H28N6O2S.C28H27N5O3S.C27H26N6O2S2.2C26H28N6O3S/c34-20-21-6-7-22-16-26(18-25(22)15-21)32(40)38-10-2-5-29(38)23-3-1-4-24(17-23)31(39)36-33-35-28-9-8-27(19-30(28)42-33)37-11-13-41-14-12-37;1-34-16-13-25-27(19-34)38-30(32-25)33-28(36)23-6-2-5-22(17-23)26-8-4-15-35(26)29(37)21-11-9-20(10-12-21)24-7-3-14-31-18-24;1-33-14-11-24-26(18-33)37-29(31-24)32-27(35)21-7-3-6-20(16-21)25-9-4-13-34(25)28(36)22-8-2-5-19(15-22)23-10-12-30-17-23;1-33-15-12-23-25(17-33)37-28(30-23)31-26(35)21-5-2-4-20(16-21)24-6-3-14-34(24)27(36)19-9-7-18(8-10-19)22-11-13-29-32-22;1-32-13-11-22-24(16-32)37-28(30-22)31-26(35)19-5-2-4-18(15-19)23-6-3-12-33(23)27(36)20-7-9-21-17(14-20)8-10-25(34)29-21;1-32-13-11-21-24(15-32)37-27(28-21)29-25(34)20-5-2-4-19(14-20)23-6-3-12-33(23)26(35)18-9-7-17(8-10-18)22-16-36-31-30-22;1-31-12-10-20-22(15-31)36-25(29-20)30-24(34)18-7-2-5-16(13-18)21-9-4-11-32(21)26(35)28-19-8-3-6-17(14-19)23(27)33;1-31-13-11-20-22(15-31)36-25(29-20)30-24(34)18-5-2-4-17(14-18)21-6-3-12-32(21)26(35)28-19-9-7-16(8-10-19)23(27)33/h1,3-4,6-7,15-18,22,27,29H,2,5,8-14,19H2,(H,35,36,39);2-3,5-7,9-12,14,17-18,26H,4,8,13,15-16,19H2,1H3,(H,32,33,36);2-3,5-8,10,15-17,25H,4,9,11-14,18H2,1H3,(H,31,32,35);2,4-5,7-11,13,16,24H,3,6,12,14-15,17H2,1H3,(H,29,32)(H,30,31,35);2,4-5,7-10,14-15,23H,3,6,11-13,16H2,1H3,(H,29,34)(H,30,31,35);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);2-3,5-8,13-14,21H,4,9-12,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34);2,4-5,7-10,14,21H,3,6,11-13,15H2,1H3,(H2,27,33)(H,28,35)(H,29,30,34)/t22?,27-,29+;26-;25-;24-;2*23-;;/m011111../s1.
What are the key properties of N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide?
N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide has a molecular weight of 4181.21 g/mol, XLogP of 36.54, 39 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;N-(4-carbamoylphenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide;3-[(2R)-1-(6-cyano-3aH-indene-2-carbonyl)pyrrolidin-2-yl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(2-oxo-1H-quinoline-6-carbonyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(1H-pyrazol-5-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(4-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[3-(2H-pyrrol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide;N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-[4-(thiadiazol-4-yl)benzoyl]pyrrolidin-2-yl]benzamide is sourced from PubChem (CID 160654462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).