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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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

C132H136ClN29O14S6 — CID 161420353

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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COc1ccc(C(=O)N2CCCC2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1Cl
InChIInChI=1S/C27H27N7O3S.C27H26N6O2S2.C26H27ClN4O3S.2C26H28N6O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20;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;1-30-12-10-20-23(15-30)35-26(28-20)29-24(32)17-6-3-5-16(13-17)21-7-4-11-31(21)25(33)18-8-9-22(34-2)19(27)14-18;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/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);3,5-6,8-9,13-14,21H,4,7,10-12,15H2,1-2H3,(H,28,29,32);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)/t21-;23-;;;/m11.../s1
InChIKeyVWQMFCCIHWWXFX-JYYFDHIASA-N
MW2580.58 g/mol
LogP20.71
Rot. Bonds25

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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 161420353) has the molecular formula C132H136ClN29O14S6 and a molecular weight of 2580.58 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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 CID161420353
Molecular FormulaC132H136ClN29O14S6
Molecular Weight2580.58 g/mol
Exact Mass2577.88
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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COc1ccc(C(=O)N2CCCC2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1Cl
InChIInChI=1S/C27H27N7O3S.C27H26N6O2S2.C26H27ClN4O3S.2C26H28N6O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20;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;1-30-12-10-20-23(15-30)35-26(28-20)29-24(32)17-6-3-5-16(13-17)21-7-4-11-31(21)25(33)18-8-9-22(34-2)19(27)14-18;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/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);3,5-6,8-9,13-14,21H,4,7,10-12,15H2,1-2H3,(H,28,29,32);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)/t21-;23-;;;/m11.../s1
InChIKeyVWQMFCCIHWWXFX-JYYFDHIASA-N
XLogP20.71
TPSA533.34 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds25
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.58
LogP ≤ 520.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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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Related Compounds

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 56598445
N-(3-aminophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide
CID 88561509
(2S)-N-(3-cyanophenyl)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide
CID 56598843
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
CID 56598577
2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]-N-[4-[(methylideneamino)methyl]phenyl]pyrrolidine-1-carboxamide
CID 123578067
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2R)-1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]benzamide
CID 56597900
3-chloro-N-[hydroxy-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-methoxybenzamide
CID 123332971
3-chloro-4-methoxy-N-[(1R)-1-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]propyl]benzamide
CID 56598969
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
CID 56597901
(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
CID 88591178
N-(4-cyanophenyl)-3-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 88561615
3-[(2R)-1-(4-cyano-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 56597593

Frequently Asked Questions

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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 161420353) 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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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(-c5csnn5)cc4)c3)sc2C1.CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4cn5cc(C(N)=O)ccc5n4)c3)sc2C1.COc1ccc(C(=O)N2CCCC2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1Cl.
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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 VWQMFCCIHWWXFX-JYYFDHIASA-N. The full InChI is InChI=1S/C27H27N7O3S.C27H26N6O2S2.C26H27ClN4O3S.2C26H28N6O3S/c1-32-11-9-19-22(15-32)38-27(30-19)31-25(36)17-5-2-4-16(12-17)21-6-3-10-34(21)26(37)20-14-33-13-18(24(28)35)7-8-23(33)29-20;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;1-30-12-10-20-23(15-30)35-26(28-20)29-24(32)17-6-3-5-16(13-17)21-7-4-11-31(21)25(33)18-8-9-22(34-2)19(27)14-18;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/h2,4-5,7-8,12-14,21H,3,6,9-11,15H2,1H3,(H2,28,35)(H,30,31,36);2,4-5,7-10,14,16,23H,3,6,11-13,15H2,1H3,(H,28,29,34);3,5-6,8-9,13-14,21H,4,7,10-12,15H2,1-2H3,(H,28,29,32);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)/t21-;23-;;;/m11.../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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 2580.58 g/mol, XLogP of 20.71, 25 rotatable bonds, 10 hydrogen bond donors, and 34 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-[1-(3-chloro-4-methoxybenzoyl)pyrrolidin-2-yl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;2-[(2R)-2-[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]pyrrolidine-1-carbonyl]imidazo[1,2-a]pyridine-6-carboxamide;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 161420353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).