2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde

C169H163Br2F4N29O18 — CID 158192718

IUPAC2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.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(Br)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F.O=[N+]([O-])c1cccnc1Br.[2H]CF
InChIInChI=1S/C37H32N6O3.C36H30N6O3.C35H30N6O4.C30H26BrN3O2.C18H18N6O3.C5H3BrN2O2.C2HF3O.CH3F.5CH4/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;3-2(4,5)1-6;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,21H2,1H3;3-9,12H,10,19H2,1-2H3;1-3H;1H;1H3;5*1H4/t3*30-;27-;12-;;;;;;;;/m00000......../s1/i;;;;;;;1D;;;;;
InChIKeyFZYQVLFZRUAFGX-WFEJKRIZSA-N
MW3125.15 g/mol
LogP28.56
Rot. Bonds42

About 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde

2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde (PubChem CID 158192718) has the molecular formula C169H163Br2F4N29O18 and a molecular weight of 3125.15 g/mol. Its IUPAC name is 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde
PubChem CID158192718
Molecular FormulaC169H163Br2F4N29O18
Molecular Weight3125.15 g/mol
Exact Mass3121.11
IUPAC Name2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde
SMILESC.C.C.C.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(Br)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F.O=[N+]([O-])c1cccnc1Br.[2H]CF
InChIInChI=1S/C37H32N6O3.C36H30N6O3.C35H30N6O4.C30H26BrN3O2.C18H18N6O3.C5H3BrN2O2.C2HF3O.CH3F.5CH4/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;3-2(4,5)1-6;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,21H2,1H3;3-9,12H,10,19H2,1-2H3;1-3H;1H;1H3;5*1H4/t3*30-;27-;12-;;;;;;;;/m00000......../s1/i;;;;;;;1D;;;;;
InChIKeyFZYQVLFZRUAFGX-WFEJKRIZSA-N
XLogP28.56
TPSA563.62 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003125.15
LogP ≤ 528.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde
CID 164147961
lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3,5-dimethylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide
CID 161691219
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
lithium;sodium;2-bromo-3,5,6-trimethylpyridine;carbanide;2,6-dibromo-3-methylpyridine;5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridine;methane;methyl (2S)-2-amino-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-2-[[4-[[(2S)-butan-2-yl]amino]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoate;oxolane;hydroxide
CID 165092151

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde (CID 158192718) is 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde is C.C.C.C.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(Br)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.COC(=O)[C@H](Cc1ccc(Nc2ncccc2[N+](=O)[O-])c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F.O=[N+]([O-])c1cccnc1Br.[2H]CF.
What is the InChIKey of 2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde?
The InChIKey is FZYQVLFZRUAFGX-WFEJKRIZSA-N. The full InChI is InChI=1S/C37H32N6O3.C36H30N6O3.C35H30N6O4.C30H26BrN3O2.C18H18N6O3.C5H3BrN2O2.C2HF3O.CH3F.5CH4/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;3-2(4,5)1-6;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,21H2,1H3;3-9,12H,10,19H2,1-2H3;1-3H;1H;1H3;5*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)-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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde?
2-bromo-3-nitropyridine;deuterio(fluoro)methane;methane;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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde has a molecular weight of 3125.15 g/mol, XLogP of 28.56, 42 rotatable bonds, 7 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)-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-bromoimidazo[1,2-a]pyridin-5-yl)-2-(tritylamino)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;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).