2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine

C140H138BrFN20O22 — CID 159468478

About 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine

2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine (PubChem CID 159468478) has the molecular formula C140H138BrFN20O22 and a molecular weight of 2551.66 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine
• PubChem CID: 159468478
• Molecular Formula: C140H138BrFN20O22
• Molecular Weight: 2551.66 g/mol
• Exact Mass: 2548.95
• IUPAC Name: 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine
• SMILES: CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc3nc(C(=O)O)cn3c2)cc1.CC(C)(C)c1ccc(-c2ccccc2C(=O)O)cc1.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(N)ccc2n1.CCOC(=O)c1cn2cc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)ccc2n1.CCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1.CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1cn2cc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)ccc2n1)c1ccccc1.Nc1ccc([N+](=O)[O-])cn1
• InChI: InChI=1S/C41H38FN5O3.C27H27N3O3.C25H23N3O3.C17H18O2.C10H9N3O4.C10H11N3O2.C5H7BrO3.C5H5N3O2/c1-41(2,3)30-18-16-28(17-19-30)33-12-8-9-13-34(33)38(48)43-32-22-23-36-44-35(26-47(36)25-32)39(49)45-37(29-10-6-5-7-11-29)40(50)46(4)24-27-14-20-31(42)21-15-27;1-5-33-26(32)23-17-30-16-20(14-15-24(30)29-23)28-25(31)22-9-7-6-8-21(22)18-10-12-19(13-11-18)27(2,3)4;1-25(2,3)17-10-8-16(9-11-17)19-6-4-5-7-20(19)23(29)26-18-12-13-22-27-21(24(30)31)15-28(22)14-18;1-17(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(18)19;1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;1-2-9-5(8)4(7)3-6;6-5-2-1-4(3-7-5)8(9)10/h5-23,25-26,37H,24H2,1-4H3,(H,43,48)(H,45,49);6-17H,5H2,1-4H3,(H,28,31);4-15H,1-3H3,(H,26,29)(H,30,31);4-11H,1-3H3,(H,18,19);3-6H,2H2,1H3;3-6H,2,11H2,1H3;2-3H2,1H3;1-3H,(H2,6,7)/t37-;;;;;;;/m0......./s1
• InChIKey: LVMMXFZHOZDULT-NAIYEXCYSA-N
• XLogP: 26.74
• TPSA: 571.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.66
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine?

The IUPAC name of 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine (CID 159468478) is 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine.

What is the SMILES notation for 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine?

The canonical SMILES for 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine is CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc3nc(C(=O)O)cn3c2)cc1.CC(C)(C)c1ccc(-c2ccccc2C(=O)O)cc1.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(N)ccc2n1.CCOC(=O)c1cn2cc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)ccc2n1.CCOC(=O)c1cn2cc([N+](=O)[O-])ccc2n1.CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1cn2cc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C)cc3)ccc2n1)c1ccccc1.Nc1ccc([N+](=O)[O-])cn1.

What is the InChIKey of 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine?

The InChIKey is LVMMXFZHOZDULT-NAIYEXCYSA-N. The full InChI is InChI=1S/C41H38FN5O3.C27H27N3O3.C25H23N3O3.C17H18O2.C10H9N3O4.C10H11N3O2.C5H7BrO3.C5H5N3O2/c1-41(2,3)30-18-16-28(17-19-30)33-12-8-9-13-34(33)38(48)43-32-22-23-36-44-35(26-47(36)25-32)39(49)45-37(29-10-6-5-7-11-29)40(50)46(4)24-27-14-20-31(42)21-15-27;1-5-33-26(32)23-17-30-16-20(14-15-24(30)29-23)28-25(31)22-9-7-6-8-21(22)18-10-12-19(13-11-18)27(2,3)4;1-25(2,3)17-10-8-16(9-11-17)19-6-4-5-7-20(19)23(29)26-18-12-13-22-27-21(24(30)31)15-28(22)14-18;1-17(2,3)13-10-8-12(9-11-13)14-6-4-5-7-15(14)16(18)19;1-2-17-10(14)8-6-12-5-7(13(15)16)3-4-9(12)11-8;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;1-2-9-5(8)4(7)3-6;6-5-2-1-4(3-7-5)8(9)10/h5-23,25-26,37H,24H2,1-4H3,(H,43,48)(H,45,49);6-17H,5H2,1-4H3,(H,28,31);4-15H,1-3H3,(H,26,29)(H,30,31);4-11H,1-3H3,(H,18,19);3-6H,2H2,1H3;3-6H,2,11H2,1H3;2-3H2,1H3;1-3H,(H2,6,7)/t37-;;;;;;;/m0......./s1.

What are the key properties of 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine?

2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine has a molecular weight of 2551.66 g/mol, XLogP of 26.74, 29 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)benzoic acid;6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]imidazo[1,2-a]pyridine-2-carboxamide;6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-aminoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-[[2-(4-tert-butylphenyl)benzoyl]amino]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-nitroimidazo[1,2-a]pyridine-2-carboxylate;5-nitropyridin-2-amine is sourced from PubChem (CID 159468478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).