2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate

C163H148BrFN30O17 — CID 165003106

About 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate

2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate (PubChem CID 165003106) has the molecular formula C163H148BrFN30O17 and a molecular weight of 2899.08 g/mol. Its IUPAC name is 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate.

Molecular Properties

• Compound Name: 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate
• PubChem CID: 165003106
• Molecular Formula: C163H148BrFN30O17
• Molecular Weight: 2899.08 g/mol
• Exact Mass: 2896.09
• IUPAC Name: 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate
• SMILES: C.COC(=O)[C@@H](N)Cc1ccc(-n2c(=O)n(C)c3cccnc32)c2nccn12.COC(=O)[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(-n2c(=O)n(C)c3cccnc32)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(N)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=[N+]([O-])c1cccnc1Br.[2H]CF
• InChI: InChI=1S/C37H32N6O3.C36H30N6O3.C35H30N6O4.C30H28N4O2.C18H18N6O3.C5H3BrN2O2.CH3F.CH4/c1-41-31-19-12-22-38-34(31)43(36(41)45)32-21-20-29(42-24-23-39-33(32)42)25-30(35(44)46-2)40-37(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;1-45-34(43)30(40-36(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27)24-28-19-20-31(33-38-22-23-41(28)33)42-32-29(39-35(42)44)18-11-21-37-32;1-45-34(42)30(24-28-19-20-29(33-37-22-23-40(28)33)38-32-31(41(43)44)18-11-21-36-32)39-35(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27;1-36-29(35)27(21-25-17-18-26(31)28-32-19-20-34(25)28)33-30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-22-13-4-3-7-20-16(13)24(18(22)26)14-6-5-11(10-12(19)17(25)27-2)23-9-8-21-15(14)23;6-5-4(8(9)10)2-1-3-7-5;1-2;/h3-24,30,40H,25H2,1-2H3;2-23,30,40H,24H2,1H3,(H,39,44);2-23,30,39H,24H2,1H3,(H,36,38);2-20,27,33H,21,31H2,1H3;3-9,12H,10,19H2,1-2H3;1-3H;1H3;1H4/t3*30-;27-;12-;;;/m00000.../s1/i;;;;;;1D
• InChIKey: IOBPNKJPEJTVKQ-WCCRWRDXSA-N
• XLogP: 24.08
• TPSA: 572.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 42
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2899.08
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?

The IUPAC name of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate (CID 165003106) is 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate.

What is the SMILES notation for 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?

The canonical SMILES for 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate is C.COC(=O)[C@@H](N)Cc1ccc(-n2c(=O)n(C)c3cccnc32)c2nccn12.COC(=O)[C@H](Cc1ccc(-n2c(=O)[nH]c3cccnc32)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(-n2c(=O)n(C)c3cccnc32)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(N)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=[N+]([O-])c1cccnc1Br.[2H]CF.

What is the InChIKey of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?

The InChIKey is IOBPNKJPEJTVKQ-WCCRWRDXSA-N. The full InChI is InChI=1S/C37H32N6O3.C36H30N6O3.C35H30N6O4.C30H28N4O2.C18H18N6O3.C5H3BrN2O2.CH3F.CH4/c1-41-31-19-12-22-38-34(31)43(36(41)45)32-21-20-29(42-24-23-39-33(32)42)25-30(35(44)46-2)40-37(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28;1-45-34(43)30(40-36(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27)24-28-19-20-31(33-38-22-23-41(28)33)42-32-29(39-35(42)44)18-11-21-37-32;1-45-34(42)30(24-28-19-20-29(33-37-22-23-40(28)33)38-32-31(41(43)44)18-11-21-36-32)39-35(25-12-5-2-6-13-25,26-14-7-3-8-15-26)27-16-9-4-10-17-27;1-36-29(35)27(21-25-17-18-26(31)28-32-19-20-34(25)28)33-30(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-22-13-4-3-7-20-16(13)24(18(22)26)14-6-5-11(10-12(19)17(25)27-2)23-9-8-21-15(14)23;6-5-4(8(9)10)2-1-3-7-5;1-2;/h3-24,30,40H,25H2,1-2H3;2-23,30,40H,24H2,1H3,(H,39,44);2-23,30,39H,24H2,1H3,(H,36,38);2-20,27,33H,21,31H2,1H3;3-9,12H,10,19H2,1-2H3;1-3H;1H3;1H4/t3*30-;27-;12-;;;/m00000.../s1/i;;;;;;1D;.

What are the key properties of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?

2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate has a molecular weight of 2899.08 g/mol, XLogP of 24.08, 42 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;methyl (2S)-3-(8-aminoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)propanoate;methyl (2S)-2-amino-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-[(3-nitro-2-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate;methyl (2S)-3-[8-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate is sourced from PubChem (CID 165003106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).