(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide

C143H162ClF2N21O13S4 — CID 157315990

IUPAC(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2[nH]1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2s1)c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCOCC1.C[C@H](CCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)c1ccccc1
InChIInChI=1S/C30H38N4O3S.C29H34ClN3O3S.C29H29FN4O2S.C28H34FN5O3.C27H27N5O2S/c1-20(10-9-19-35)28(36)32-26(22-13-6-3-7-14-22)30(37)34-18-8-15-23(34)29-33-27-24(38-29)16-17-31-25(27)21-11-4-2-5-12-21;1-3-18(2)27(34)31-25(19-13-16-36-17-14-19)29(35)33-15-7-11-23(33)28-32-26-21(9-6-12-24(26)37-28)20-8-4-5-10-22(20)30;1-3-18(2)27(35)32-25(19-8-5-4-6-9-19)29(36)34-17-7-10-22(34)28-33-26-23(37-28)15-16-31-24(26)20-11-13-21(30)14-12-20;1-3-17(2)27(35)33-24(19-11-15-37-16-12-19)28(36)34-14-4-5-22(34)26-31-21-10-13-30-23(25(21)32-26)18-6-8-20(29)9-7-18;1-17(28)25(33)30-23(19-11-6-3-7-12-19)27(34)32-16-8-13-20(32)26-31-24-21(35-26)14-15-29-22(24)18-9-4-2-5-10-18/h2,4-5,11-12,16-17,20,22-23,26,35H,3,6-10,13-15,18-19H2,1H3,(H,32,36);4-6,8-10,12,18-19,23,25H,3,7,11,13-17H2,1-2H3,(H,31,34);4-6,8-9,11-16,18,22,25H,3,7,10,17H2,1-2H3,(H,32,35);6-10,13,17,19,22,24H,3-5,11-12,14-16H2,1-2H3,(H,31,32)(H,33,35);2-7,9-12,14-15,17,20,23H,8,13,16,28H2,1H3,(H,30,33)/t20-,23+,26+;18-,23+,25+;18-,22+,25+;17-,22+,24+;17-,20-,23-/m11110/s1
InChIKeyBDPFMZZDBRWCET-DSCZNCQMSA-N
MW2584.72 g/mol
LogP26.41
Rot. Bonds36

About (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide

(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide (PubChem CID 157315990) has the molecular formula C143H162ClF2N21O13S4 and a molecular weight of 2584.72 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide
PubChem CID157315990
Molecular FormulaC143H162ClF2N21O13S4
Molecular Weight2584.72 g/mol
Exact Mass2582.12
IUPAC Name(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2[nH]1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2s1)c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCOCC1.C[C@H](CCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)c1ccccc1
InChIInChI=1S/C30H38N4O3S.C29H34ClN3O3S.C29H29FN4O2S.C28H34FN5O3.C27H27N5O2S/c1-20(10-9-19-35)28(36)32-26(22-13-6-3-7-14-22)30(37)34-18-8-15-23(34)29-33-27-24(38-29)16-17-31-25(27)21-11-4-2-5-12-21;1-3-18(2)27(34)31-25(19-13-16-36-17-14-19)29(35)33-15-7-11-23(33)28-32-26-21(9-6-12-24(26)37-28)20-8-4-5-10-22(20)30;1-3-18(2)27(35)32-25(19-8-5-4-6-9-19)29(36)34-17-7-10-22(34)28-33-26-23(37-28)15-16-31-24(26)20-11-13-21(30)14-12-20;1-3-17(2)27(35)33-24(19-11-15-37-16-12-19)28(36)34-14-4-5-22(34)26-31-21-10-13-30-23(25(21)32-26)18-6-8-20(29)9-7-18;1-17(28)25(33)30-23(19-11-6-3-7-12-19)27(34)32-16-8-13-20(32)26-31-24-21(35-26)14-15-29-22(24)18-9-4-2-5-10-18/h2,4-5,11-12,16-17,20,22-23,26,35H,3,6-10,13-15,18-19H2,1H3,(H,32,36);4-6,8-10,12,18-19,23,25H,3,7,11,13-17H2,1-2H3,(H,31,34);4-6,8-9,11-16,18,22,25H,3,7,10,17H2,1-2H3,(H,32,35);6-10,13,17,19,22,24H,3-5,11-12,14-16H2,1-2H3,(H,31,32)(H,33,35);2-7,9-12,14-15,17,20,23H,8,13,16,28H2,1H3,(H,30,33)/t20-,23+,26+;18-,23+,25+;18-,22+,25+;17-,22+,24+;17-,20-,23-/m11110/s1
InChIKeyBDPFMZZDBRWCET-DSCZNCQMSA-N
XLogP26.41
TPSA443.56 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002584.72
LogP ≤ 526.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide with MolForge

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Related Compounds

(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[7-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 157583764
(2R)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-5-hydroxy-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]pentanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 158484891
(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[4-(4-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]butanamide
CID 159060296
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2R)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(2-hydroxyethylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
CID 159122004
(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(2-hydroxyethylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[7-(4-fluorophenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 159360275
(2S)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 159550464
(2S)-N-[(1S)-1-(1-acetylpiperidin-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-[1-(2-hydroxyethyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 159617378
(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[4-[(2R)-oxolane-2-carbonyl]cyclohexyl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 159635911
(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 160318939
(2R)-N-[(1S)-1-cyclohexyl-2-[(2R)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(5-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide
CID 160685409
(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2R)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-5-hydroxy-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]pentanamide;(2R)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
CID 160723449
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 161082757

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide (CID 157315990) is (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2[nH]1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)nccc2s1)c1ccccc1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCOCC1.C[C@H](CCCO)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)C1CCCCC1.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nccc2s1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide?
The InChIKey is BDPFMZZDBRWCET-DSCZNCQMSA-N. The full InChI is InChI=1S/C30H38N4O3S.C29H34ClN3O3S.C29H29FN4O2S.C28H34FN5O3.C27H27N5O2S/c1-20(10-9-19-35)28(36)32-26(22-13-6-3-7-14-22)30(37)34-18-8-15-23(34)29-33-27-24(38-29)16-17-31-25(27)21-11-4-2-5-12-21;1-3-18(2)27(34)31-25(19-13-16-36-17-14-19)29(35)33-15-7-11-23(33)28-32-26-21(9-6-12-24(26)37-28)20-8-4-5-10-22(20)30;1-3-18(2)27(35)32-25(19-8-5-4-6-9-19)29(36)34-17-7-10-22(34)28-33-26-23(37-28)15-16-31-24(26)20-11-13-21(30)14-12-20;1-3-17(2)27(35)33-24(19-11-15-37-16-12-19)28(36)34-14-4-5-22(34)26-31-21-10-13-30-23(25(21)32-26)18-6-8-20(29)9-7-18;1-17(28)25(33)30-23(19-11-6-3-7-12-19)27(34)32-16-8-13-20(32)26-31-24-21(35-26)14-15-29-22(24)18-9-4-2-5-10-18/h2,4-5,11-12,16-17,20,22-23,26,35H,3,6-10,13-15,18-19H2,1H3,(H,32,36);4-6,8-10,12,18-19,23,25H,3,7,11,13-17H2,1-2H3,(H,31,34);4-6,8-9,11-16,18,22,25H,3,7,10,17H2,1-2H3,(H,32,35);6-10,13,17,19,22,24H,3-5,11-12,14-16H2,1-2H3,(H,31,32)(H,33,35);2-7,9-12,14-15,17,20,23H,8,13,16,28H2,1H3,(H,30,33)/t20-,23+,26+;18-,23+,25+;18-,22+,25+;17-,22+,24+;17-,20-,23-/m11110/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide?
(2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide has a molecular weight of 2584.72 g/mol, XLogP of 26.41, 36 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(2-chlorophenyl)-1,3-benzothiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-5-hydroxy-2-methylpentanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(4-fluorophenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-methylbutanamide is sourced from PubChem (CID 157315990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).