(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide

C116H142FN15O11S4 — CID 161203090

IUPAC(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3cc(F)ccc32)cs1)C1CCOCC1
InChIInChI=1S/C32H39N3O3S.C29H36N4O2S.C28H34N4O3S.C27H33FN4O3S/c1-4-20(2)30(37)34-29(22-11-6-5-7-12-22)32(38)35-18-10-15-28(35)31-33-27(19-39-31)26-17-16-23(21(3)36)24-13-8-9-14-25(24)26;1-3-19(2)27(34)32-26(20-10-5-4-6-11-20)29(35)33-17-9-15-25(33)28-31-24(18-36-28)22-12-7-14-23-21(22)13-8-16-30-23;1-3-18(2)26(33)31-25(19-11-15-35-16-12-19)28(34)32-14-6-10-24(32)27-30-23(17-36-27)21-7-4-9-22-20(21)8-5-13-29-22;1-3-16(2)25(33)31-23(17-8-11-35-12-9-17)27(34)32-10-4-5-22(32)26-30-21(15-36-26)24-20-7-6-19(28)13-18(20)14-29-24/h8-9,13-14,16-17,19-20,22,28-29H,4-7,10-12,15,18H2,1-3H3,(H,34,37);7-8,12-14,16,18-20,25-26H,3-6,9-11,15,17H2,1-2H3,(H,32,34);4-5,7-9,13,17-19,24-25H,3,6,10-12,14-16H2,1-2H3,(H,31,33);6-7,13,15-17,22-23H,3-5,8-12,14H2,1-2H3,(H,31,33)/t20-,28+,29+;19-,25+,26+;18-,24+,25+;16-,22+,23+/m1111/s1
InChIKeyUVFZZXLKFHDYFB-WCBFTPIRSA-N
MW2069.77 g/mol
LogP22.31
Rot. Bonds29

About (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 161203090) has the molecular formula C116H142FN15O11S4 and a molecular weight of 2069.77 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
PubChem CID161203090
Molecular FormulaC116H142FN15O11S4
Molecular Weight2069.77 g/mol
Exact Mass2067.99
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3cc(F)ccc32)cs1)C1CCOCC1
InChIInChI=1S/C32H39N3O3S.C29H36N4O2S.C28H34N4O3S.C27H33FN4O3S/c1-4-20(2)30(37)34-29(22-11-6-5-7-12-22)32(38)35-18-10-15-28(35)31-33-27(19-39-31)26-17-16-23(21(3)36)24-13-8-9-14-25(24)26;1-3-19(2)27(34)32-26(20-10-5-4-6-11-20)29(35)33-17-9-15-25(33)28-31-24(18-36-28)22-12-7-14-23-21(22)13-8-16-30-23;1-3-18(2)26(33)31-25(19-11-15-35-16-12-19)28(34)32-14-6-10-24(32)27-30-23(17-36-27)21-7-4-9-22-20(21)8-5-13-29-22;1-3-16(2)25(33)31-23(17-8-11-35-12-9-17)27(34)32-10-4-5-22(32)26-30-21(15-36-26)24-20-7-6-19(28)13-18(20)14-29-24/h8-9,13-14,16-17,19-20,22,28-29H,4-7,10-12,15,18H2,1-3H3,(H,34,37);7-8,12-14,16,18-20,25-26H,3-6,9-11,15,17H2,1-2H3,(H,32,34);4-5,7-9,13,17-19,24-25H,3,6,10-12,14-16H2,1-2H3,(H,31,33);6-7,13,15-17,22-23H,3-5,8-12,14H2,1-2H3,(H,31,33)/t20-,28+,29+;19-,25+,26+;18-,24+,25+;16-,22+,23+/m1111/s1
InChIKeyUVFZZXLKFHDYFB-WCBFTPIRSA-N
XLogP22.31
TPSA322.87 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002069.77
LogP ≤ 522.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-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-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
CID 158608890
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(3H-isoindol-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
CID 159994522
2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-[2-(2-hydroxypropan-2-yl)quinolin-4-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;4-[2-[(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid
CID 157100525
(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
CID 157211952
4-[2-[1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[2-[4-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157236890
4-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]naphthalene-1-carboxylic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-[4-(2H-tetrazol-5-yl)naphthalen-1-yl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157236891
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;2-amino-3-fluoro-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-tert-butylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 157298628
2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide;(2S)-2-(ethylamino)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxo-1-(4-oxocyclohexyl)ethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[4-(2-oxo-1H-quinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157529432
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(2S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-hydroxy-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide;(2S)-N-[(2S,3R)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methyl-1-oxoisoquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
CID 157533721
N-[2-[6-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;6-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-2-carboxamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-3-phenylbenzamide;N-[2-[6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-phenylpyridine-2-carboxamide;3-phenyl-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 157873894
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 157932370
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(2-ethylquinolin-4-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-hydroxycyclohexyl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 157932371

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide (CID 161203090) is (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(C)=O)c3ccccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ncccc23)cs1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C2=NCc3cc(F)ccc32)cs1)C1CCOCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The InChIKey is UVFZZXLKFHDYFB-WCBFTPIRSA-N. The full InChI is InChI=1S/C32H39N3O3S.C29H36N4O2S.C28H34N4O3S.C27H33FN4O3S/c1-4-20(2)30(37)34-29(22-11-6-5-7-12-22)32(38)35-18-10-15-28(35)31-33-27(19-39-31)26-17-16-23(21(3)36)24-13-8-9-14-25(24)26;1-3-19(2)27(34)32-26(20-10-5-4-6-11-20)29(35)33-17-9-15-25(33)28-31-24(18-36-28)22-12-7-14-23-21(22)13-8-16-30-23;1-3-18(2)26(33)31-25(19-11-15-35-16-12-19)28(34)32-14-6-10-24(32)27-30-23(17-36-27)21-7-4-9-22-20(21)8-5-13-29-22;1-3-16(2)25(33)31-23(17-8-11-35-12-9-17)27(34)32-10-4-5-22(32)26-30-21(15-36-26)24-20-7-6-19(28)13-18(20)14-29-24/h8-9,13-14,16-17,19-20,22,28-29H,4-7,10-12,15,18H2,1-3H3,(H,34,37);7-8,12-14,16,18-20,25-26H,3-6,9-11,15,17H2,1-2H3,(H,32,34);4-5,7-9,13,17-19,24-25H,3,6,10-12,14-16H2,1-2H3,(H,31,33);6-7,13,15-17,22-23H,3-5,8-12,14H2,1-2H3,(H,31,33)/t20-,28+,29+;19-,25+,26+;18-,24+,25+;16-,22+,23+/m1111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
(2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2069.77 g/mol, XLogP of 22.31, 29 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-[4-(4-acetylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[4-(5-fluoro-3H-isoindol-1-yl)-1,3-thiazol-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-(4-quinolin-5-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 161203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).