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

C120H158N16O13S4 — CID 157443370

About 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

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 (PubChem CID 157443370) has the molecular formula C120H158N16O13S4 and a molecular weight of 2160.95 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157443370
• Molecular Formula: C120H158N16O13S4
• Molecular Weight: 2160.95 g/mol
• Exact Mass: 2159.11
• IUPAC Name: 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
• SMILES: Cc1ncsc1-c1ccc(C(C)CC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(C(CO)CC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(C2CCC2)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(n2cc(C(C)(C)C)cn2)C(C)(C)C)cc1
• InChI: InChI=1S/C30H40N4O4S.C30H38N4O3S.2C30H40N4O3S/c1-18(2)27(34-14-23(13-32-34)30(4,5)6)29(38)33-15-24(36)12-25(33)26(37)11-22(16-35)20-7-9-21(10-8-20)28-19(3)31-17-39-28;1-19-28(38-18-31-19)22-11-8-20(9-12-22)10-13-26(36)25-14-24(35)17-33(25)29(37)27(21-6-5-7-21)34-16-23(15-32-34)30(2,3)4;1-19-26(38-18-31-19)21-11-8-20(9-12-21)10-13-25(36)24-14-23(35)17-33(24)28(37)27(30(5,6)7)34-16-22(15-32-34)29(2,3)4;1-18(2)27(34-15-23(14-32-34)30(5,6)7)29(37)33-16-24(35)13-25(33)26(36)12-19(3)21-8-10-22(11-9-21)28-20(4)31-17-38-28/h7-10,13-14,17-18,22,24-25,27,35-36H,11-12,15-16H2,1-6H3;8-9,11-12,15-16,18,21,24-25,27,35H,5-7,10,13-14,17H2,1-4H3;8-9,11-12,15-16,18,23-24,27,35H,10,13-14,17H2,1-7H3;8-11,14-15,17-19,24-25,27,35H,12-13,16H2,1-7H3
• InChIKey: BRXZJDFOPIJQSJ-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 373.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.95
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ncsc1-c1ccc(C(C)CC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(C(CO)CC(=O)C2CC(O)CN2C(=O)C(C(C)C)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(C2CCC2)n2cc(C(C)(C)C)cn2)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(n2cc(C(C)(C)C)cn2)C(C)(C)C)cc1.

What is the InChIKey of 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?

The InChIKey is BRXZJDFOPIJQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4S.C30H38N4O3S.2C30H40N4O3S/c1-18(2)27(34-14-23(13-32-34)30(4,5)6)29(38)33-15-24(36)12-25(33)26(37)11-22(16-35)20-7-9-21(10-8-20)28-19(3)31-17-39-28;1-19-28(38-18-31-19)22-11-8-20(9-12-22)10-13-26(36)25-14-24(35)17-33(25)29(37)27(21-6-5-7-21)34-16-23(15-32-34)30(2,3)4;1-19-26(38-18-31-19)21-11-8-20(9-12-21)10-13-25(36)24-14-23(35)17-33(24)28(37)27(30(5,6)7)34-16-22(15-32-34)29(2,3)4;1-18(2)27(34-15-23(14-32-34)30(5,6)7)29(37)33-16-24(35)13-25(33)26(36)12-19(3)21-8-10-22(11-9-21)28-20(4)31-17-38-28/h7-10,13-14,17-18,22,24-25,27,35-36H,11-12,15-16H2,1-6H3;8-9,11-12,15-16,18,21,24-25,27,35H,5-7,10,13-14,17H2,1-4H3;8-9,11-12,15-16,18,23-24,27,35H,10,13-14,17H2,1-7H3;8-11,14-15,17-19,24-25,27,35H,12-13,16H2,1-7H3.

What are the key properties of 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?

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 has a molecular weight of 2160.95 g/mol, XLogP of 20.52, 32 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157443370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).