1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C144H191N25O19S3 — CID 159867859

IUPAC1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1cc(C(C)(C)C)cn1)c1ccc(-c2scnc2CO)cc1.Cc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C2CCC2)n2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/2C29H39N5O4S.C29H39N5O4.C29H37N5O3S.C28H37N5O4/c1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-23(15-35)19-7-9-20(10-8-19)26-18(3)30-16-39-26;1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-18(3)19-7-9-20(10-8-19)26-23(15-35)30-16-39-26;1-17(2)25(34-14-22(13-31-34)29(5,6)7)28(37)33-15-23(35)12-24(33)27(36)32-18(3)20-8-10-21(11-9-20)26-19(4)30-16-38-26;1-18-26(38-17-31-18)21-10-8-19(9-11-21)13-30-27(36)24-12-23(35)16-33(24)28(37)25(20-6-5-7-20)34-15-22(14-32-34)29(2,3)4;1-17(2)24(33-14-21(13-31-33)28(4,5)6)27(36)32-15-22(34)11-23(32)26(35)29-12-19-7-9-20(10-8-19)25-18(3)30-16-37-25/h7-10,12-13,16-17,22-25,35-36H,11,14-15H2,1-6H3,(H,32,37);7-10,12-13,16-18,22,24-25,35-36H,11,14-15H2,1-6H3,(H,32,37);8-11,13-14,16-18,23-25,35H,12,15H2,1-7H3,(H,32,36);8-11,14-15,17,20,23-25,35H,5-7,12-13,16H2,1-4H3,(H,30,36);7-10,13-14,16-17,22-24,34H,11-12,15H2,1-6H3,(H,29,35)
InChIKeyNRYOEFIQHMLQKI-UHFFFAOYSA-N
MW2672.47 g/mol
LogP19.49
Rot. Bonds37

About 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 159867859) has the molecular formula C144H191N25O19S3 and a molecular weight of 2672.47 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID159867859
Molecular FormulaC144H191N25O19S3
Molecular Weight2672.47 g/mol
Exact Mass2670.39
IUPAC Name1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1cc(C(C)(C)C)cn1)c1ccc(-c2scnc2CO)cc1.Cc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C2CCC2)n2cc(C(C)(C)C)cn2)cc1
InChIInChI=1S/2C29H39N5O4S.C29H39N5O4.C29H37N5O3S.C28H37N5O4/c1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-23(15-35)19-7-9-20(10-8-19)26-18(3)30-16-39-26;1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-18(3)19-7-9-20(10-8-19)26-23(15-35)30-16-39-26;1-17(2)25(34-14-22(13-31-34)29(5,6)7)28(37)33-15-23(35)12-24(33)27(36)32-18(3)20-8-10-21(11-9-20)26-19(4)30-16-38-26;1-18-26(38-17-31-18)21-10-8-19(9-11-21)13-30-27(36)24-12-23(35)16-33(24)28(37)25(20-6-5-7-20)34-15-22(14-32-34)29(2,3)4;1-17(2)24(33-14-21(13-31-33)28(4,5)6)27(36)32-15-22(34)11-23(32)26(35)29-12-19-7-9-20(10-8-19)25-18(3)30-16-37-25/h7-10,12-13,16-17,22-25,35-36H,11,14-15H2,1-6H3,(H,32,37);7-10,12-13,16-18,22,24-25,35-36H,11,14-15H2,1-6H3,(H,32,37);8-11,13-14,16-18,23-25,35H,12,15H2,1-7H3,(H,32,36);8-11,14-15,17,20,23-25,35H,5-7,12-13,16H2,1-4H3,(H,30,36);7-10,13-14,16-17,22-24,34H,11-12,15H2,1-6H3,(H,29,35)
InChIKeyNRYOEFIQHMLQKI-UHFFFAOYSA-N
XLogP19.49
TPSA568.49 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002672.47
LogP ≤ 519.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4R)-4-hydroxy-1-[2-(4-hydroxypyrazol-1-yl)-3-methylbutanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139530837
2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[hydroxy-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethylamino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 135174790
1-[1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxypyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[4-hydroxy-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3-methylbutan-1-one;2-(4-tert-butylpyrazol-1-yl)-1-[4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 157443370
(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167606332
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-5-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 134492672
tert-butyl N-[(1S)-1-cyclobutyl-2-[(2S,4R)-4-hydroxy-2-[[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 177181714
(2S,4R)-1-[(2S)-3,3-dimethyl-2-propan-2-ylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146201796
(2S,4R)-1-(3,3-dimethyl-2-propan-2-ylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167092559
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[2-[5-[4-[(1S)-1-[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)butanoyl]pyrrolidine-2-carbonyl]amino]ethyl]phenyl]-1,3-thiazol-4-yl]ethyl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 134579828
(2S,4R)-1-[(2S)-2-amino-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 164875436
(2S,4S)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 162006900
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 146548469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 159867859) is 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1cc(C(C)(C)C)cn1)c1ccc(-c2scnc2CO)cc1.Cc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncoc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(C(CO)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C2CCC2)n2cc(C(C)(C)C)cn2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NRYOEFIQHMLQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H39N5O4S.C29H39N5O4.C29H37N5O3S.C28H37N5O4/c1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-23(15-35)19-7-9-20(10-8-19)26-18(3)30-16-39-26;1-17(2)25(34-13-21(12-31-34)29(4,5)6)28(38)33-14-22(36)11-24(33)27(37)32-18(3)19-7-9-20(10-8-19)26-23(15-35)30-16-39-26;1-17(2)25(34-14-22(13-31-34)29(5,6)7)28(37)33-15-23(35)12-24(33)27(36)32-18(3)20-8-10-21(11-9-20)26-19(4)30-16-38-26;1-18-26(38-17-31-18)21-10-8-19(9-11-21)13-30-27(36)24-12-23(35)16-33(24)28(37)25(20-6-5-7-20)34-15-22(14-32-34)29(2,3)4;1-17(2)24(33-14-21(13-31-33)28(4,5)6)27(36)32-15-22(34)11-23(32)26(35)29-12-19-7-9-20(10-8-19)25-18(3)30-16-37-25/h7-10,12-13,16-17,22-25,35-36H,11,14-15H2,1-6H3,(H,32,37);7-10,12-13,16-18,22,24-25,35-36H,11,14-15H2,1-6H3,(H,32,37);8-11,13-14,16-18,23-25,35H,12,15H2,1-7H3,(H,32,36);8-11,14-15,17,20,23-25,35H,5-7,12-13,16H2,1-4H3,(H,30,36);7-10,13-14,16-17,22-24,34H,11-12,15H2,1-6H3,(H,29,35).
What are the key properties of 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2672.47 g/mol, XLogP of 19.49, 37 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpyrazol-1-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;1-[2-(4-tert-butylpyrazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159867859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).