tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate

C120H120BrN23O15S5Si2 — CID 157362695

About tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate (PubChem CID 157362695) has the molecular formula C120H120BrN23O15S5Si2 and a molecular weight of 2420.84 g/mol. Its IUPAC name is tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 157362695
• Molecular Formula: C120H120BrN23O15S5Si2
• Molecular Weight: 2420.84 g/mol
• Exact Mass: 2417.67
• IUPAC Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC[C@H](O)C1.COC(=O)c1csc(-c2cnc3ccc(-c4c(-c5cccc(C)n5)ncn4COCC[Si](C)(C)C)cc3c2)n1.COC(=O)c1csc(-c2cnc3ccc(-c4ncn(COCC[Si](C)(C)C)c4-c4cccc(C)n4)cc3c2)n1.COC(=O)c1csc(Br)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4nc(C(=O)O)cs4)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4nc(C(=O)O[C@H]5CCNC5)cs4)cc3c2)n1
• InChI: InChI=1S/2C29H31N5O3SSi.C26H22N6O2S.C22H15N5O2S.C9H17NO3.C5H4BrNO2S/c1-19-7-6-8-24(32-19)26-27(34(17-31-26)18-37-11-12-39(3,4)5)20-9-10-23-21(13-20)14-22(15-30-23)28-33-25(16-38-28)29(35)36-2;1-19-7-6-8-24(32-19)27-26(31-17-34(27)18-37-11-12-39(3,4)5)20-9-10-23-21(13-20)14-22(15-30-23)28-33-25(16-38-28)29(35)36-2;1-15-3-2-4-21(31-15)24-23(29-14-30-24)16-5-6-20-17(9-16)10-18(11-28-20)25-32-22(13-35-25)26(33)34-19-7-8-27-12-19;1-12-3-2-4-17(26-12)20-19(24-11-25-20)13-5-6-16-14(7-13)8-15(9-23-16)21-27-18(10-30-21)22(28)29;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-9-4(8)3-2-10-5(6)7-3/h2*6-10,13-17H,11-12,18H2,1-5H3;2-6,9-11,13-14,19,27H,7-8,12H2,1H3,(H,29,30);2-11H,1H3,(H,24,25)(H,28,29);7,11H,4-6H2,1-3H3;2H,1H3/t;;19-;;7-;/m..0.0./s1
• InChIKey: BIVAWYMDGMQBFT-MWFNVBJXSA-N
• XLogP: 25.52
• TPSA: 483.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2420.84
LogP ≤ 5	25.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate (CID 157362695) is tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O)C1.COC(=O)c1csc(-c2cnc3ccc(-c4c(-c5cccc(C)n5)ncn4COCC[Si](C)(C)C)cc3c2)n1.COC(=O)c1csc(-c2cnc3ccc(-c4ncn(COCC[Si](C)(C)C)c4-c4cccc(C)n4)cc3c2)n1.COC(=O)c1csc(Br)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4nc(C(=O)O)cs4)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4nc(C(=O)O[C@H]5CCNC5)cs4)cc3c2)n1.

What is the InChIKey of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is BIVAWYMDGMQBFT-MWFNVBJXSA-N. The full InChI is InChI=1S/2C29H31N5O3SSi.C26H22N6O2S.C22H15N5O2S.C9H17NO3.C5H4BrNO2S/c1-19-7-6-8-24(32-19)26-27(34(17-31-26)18-37-11-12-39(3,4)5)20-9-10-23-21(13-20)14-22(15-30-23)28-33-25(16-38-28)29(35)36-2;1-19-7-6-8-24(32-19)27-26(31-17-34(27)18-37-11-12-39(3,4)5)20-9-10-23-21(13-20)14-22(15-30-23)28-33-25(16-38-28)29(35)36-2;1-15-3-2-4-21(31-15)24-23(29-14-30-24)16-5-6-20-17(9-16)10-18(11-28-20)25-32-22(13-35-25)26(33)34-19-7-8-27-12-19;1-12-3-2-4-17(26-12)20-19(24-11-25-20)13-5-6-16-14(7-13)8-15(9-23-16)21-27-18(10-30-21)22(28)29;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-9-4(8)3-2-10-5(6)7-3/h2*6-10,13-17H,11-12,18H2,1-5H3;2-6,9-11,13-14,19,27H,7-8,12H2,1H3,(H,29,30);2-11H,1H3,(H,24,25)(H,28,29);7,11H,4-6H2,1-3H3;2H,1H3/t;;19-;;7-;/m..0.0./s1.

What are the key properties of tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate?

tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 2420.84 g/mol, XLogP of 25.52, 28 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 157362695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).