lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide

C147H152BBrF2LiN17O21 — CID 158792123

About lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide

lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide (PubChem CID 158792123) has the molecular formula C147H152BBrF2LiN17O21 and a molecular weight of 2628.58 g/mol. Its IUPAC name is lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide
• PubChem CID: 158792123
• Molecular Formula: C147H152BBrF2LiN17O21
• Molecular Weight: 2628.58 g/mol
• Exact Mass: 2626.08
• IUPAC Name: lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide
• SMILES: C.C.C.COC(=O)[C@@H](N)Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@H]2C)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COc1c(Br)c(=O)n(C)c2ccccc12.[Li+].[OH-]
• InChI: InChI=1S/C41H36N4O4.C36H38BN3O4.C34H33F2N5O6.C22H22N4O4.C11H10BrNO2.3CH4.Li.H2O/c1-44-35-22-14-13-21-32(35)37(48-2)36(39(44)46)33-24-23-31(45-26-25-42-38(33)45)27-34(40(47)49-3)43-41(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30;1-34(2)35(3,4)44-37(43-34)30-22-21-29(40-24-23-38-32(30)40)25-31(33(41)42-5)39-36(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28;1-19-18-47-14-13-40(19)21-15-24(35)29(25(36)16-21)32(42)38-26(34(44)46-4)17-20-9-10-23(31-37-11-12-41(20)31)28-30(45-3)22-7-5-6-8-27(22)39(2)33(28)43;1-25-17-7-5-4-6-14(17)19(29-2)18(21(25)27)15-9-8-13(12-16(23)22(28)30-3)26-11-10-24-20(15)26;1-13-8-6-4-3-5-7(8)10(15-2)9(12)11(13)14;;;;;/h4-26,34,43H,27H2,1-3H3;6-24,31,39H,25H2,1-5H3;5-12,15-16,19,26H,13-14,17-18H2,1-4H3,(H,38,42);4-11,16H,12,23H2,1-3H3;3-6H,1-2H3;3*1H4;;1H2/q;;;;;;;;+1;/p-1/t34-;31-;19-,26+;16-;;;;;;/m0010....../s1
• InChIKey: ISKHILGHAZYREO-QETMMHLESA-M
• XLogP: 18.66
• TPSA: 439.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2628.58
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide?

The IUPAC name of lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide (CID 158792123) is lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide.

What is the SMILES notation for lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide?

The canonical SMILES for lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide is C.C.C.COC(=O)[C@@H](N)Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12)NC(=O)c1c(F)cc(N2CCOC[C@H]2C)cc1F.COC(=O)[C@H](Cc1ccc(-c2c(OC)c3ccccc3n(C)c2=O)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COc1c(Br)c(=O)n(C)c2ccccc12.[Li+].[OH-].

What is the InChIKey of lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide?

The InChIKey is ISKHILGHAZYREO-QETMMHLESA-M. The full InChI is InChI=1S/C41H36N4O4.C36H38BN3O4.C34H33F2N5O6.C22H22N4O4.C11H10BrNO2.3CH4.Li.H2O/c1-44-35-22-14-13-21-32(35)37(48-2)36(39(44)46)33-24-23-31(45-26-25-42-38(33)45)27-34(40(47)49-3)43-41(28-15-7-4-8-16-28,29-17-9-5-10-18-29)30-19-11-6-12-20-30;1-34(2)35(3,4)44-37(43-34)30-22-21-29(40-24-23-38-32(30)40)25-31(33(41)42-5)39-36(26-15-9-6-10-16-26,27-17-11-7-12-18-27)28-19-13-8-14-20-28;1-19-18-47-14-13-40(19)21-15-24(35)29(25(36)16-21)32(42)38-26(34(44)46-4)17-20-9-10-23(31-37-11-12-41(20)31)28-30(45-3)22-7-5-6-8-27(22)39(2)33(28)43;1-25-17-7-5-4-6-14(17)19(29-2)18(21(25)27)15-9-8-13(12-16(23)22(28)30-3)26-11-10-24-20(15)26;1-13-8-6-4-3-5-7(8)10(15-2)9(12)11(13)14;;;;;/h4-26,34,43H,27H2,1-3H3;6-24,31,39H,25H2,1-5H3;5-12,15-16,19,26H,13-14,17-18H2,1-4H3,(H,38,42);4-11,16H,12,23H2,1-3H3;3-6H,1-2H3;3*1H4;;1H2/q;;;;;;;;+1;/p-1/t34-;31-;19-,26+;16-;;;;;;/m0010....../s1.

What are the key properties of lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide?

lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide has a molecular weight of 2628.58 g/mol, XLogP of 18.66, 33 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-bromo-4-methoxy-1-methylquinolin-2-one;methane;methyl (2S)-2-amino-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-methylmorpholin-4-yl]benzoyl]amino]-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;hydroxide is sourced from PubChem (CID 158792123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).