5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine

C109H138Br6F11N15O17S — CID 164994290

About 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine

5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine (PubChem CID 164994290) has the molecular formula C109H138Br6F11N15O17S and a molecular weight of 2651.87 g/mol. Its IUPAC name is 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine
• PubChem CID: 164994290
• Molecular Formula: C109H138Br6F11N15O17S
• Molecular Weight: 2651.87 g/mol
• Exact Mass: 2644.51
• IUPAC Name: 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine
• SMILES: C.CC(C)(C)c1cc(C(=O)O)c(Br)cn1.CC(C)(C)c1cc(C=O)c(Br)cn1.CC(C)(C)c1cc(CCCC(F)(F)F)c(Br)cn1.CC(C)(C)c1cc(CO)c(Br)cn1.CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(C)(C)C)cc3CNCC(F)(F)F)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.CO.COC(=O)c1cc(C(C)(C)C)ncc1Br.NCC(F)(F)F.O=C=O.O=S(=O)(O)O.[2H]CC
• InChI: InChI=1S/C30H32F4N6O3.C18H17BrFN3O.C13H17BrF3N.C11H14BrNO2.C10H12BrNO2.C10H14BrNO.C10H12BrNO.C2H4F3N.C2H6.CO2.CH4O.CH4.H2O4S/c1-5-42-27(41)25-26-21(19-12-36-24(29(2,3)4)10-17(19)11-35-15-30(32,33)34)14-38-28(40(26)16-39-25)37-13-20-18-8-9-43-23(18)7-6-22(20)31;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-12(2,3)11-7-9(10(14)8-18-11)5-4-6-13(15,16)17;1-11(2,3)9-5-7(10(14)15-4)8(12)6-13-9;1-10(2,3)8-4-6(9(13)14)7(11)5-12-8;2*1-10(2,3)9-4-7(6-13)8(11)5-12-9;3-2(4,5)1-6;1-2;2-1-3;1-2;;1-5(2,3)4/h6-7,10,12,14,16,35H,5,8-9,11,13,15H2,1-4H3,(H,37,38);4-5,9-10H,2-3,6-8H2,1H3;7-8H,4-6H2,1-3H3;5-6H,1-4H3;4-5H,1-3H3,(H,13,14);4-5,13H,6H2,1-3H3;4-6H,1-3H3;1,6H2;1-2H3;;2H,1H3;1H4;(H2,1,2,3,4)/i;;;;;;;;1D
• InChIKey: FKVVKZRMVWQSPO-QOOJNRIXSA-N
• XLogP: 26.44
• TPSA: 462.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2651.87
LogP ≤ 5	26.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine?

The IUPAC name of 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine (CID 164994290) is 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine.

What is the SMILES notation for 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine?

The canonical SMILES for 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine is C.CC(C)(C)c1cc(C(=O)O)c(Br)cn1.CC(C)(C)c1cc(C=O)c(Br)cn1.CC(C)(C)c1cc(CCCC(F)(F)F)c(Br)cn1.CC(C)(C)c1cc(CO)c(Br)cn1.CCOC(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnc(C(C)(C)C)cc3CNCC(F)(F)F)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.CO.COC(=O)c1cc(C(C)(C)C)ncc1Br.NCC(F)(F)F.O=C=O.O=S(=O)(O)O.[2H]CC.

What is the InChIKey of 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine?

The InChIKey is FKVVKZRMVWQSPO-QOOJNRIXSA-N. The full InChI is InChI=1S/C30H32F4N6O3.C18H17BrFN3O.C13H17BrF3N.C11H14BrNO2.C10H12BrNO2.C10H14BrNO.C10H12BrNO.C2H4F3N.C2H6.CO2.CH4O.CH4.H2O4S/c1-5-42-27(41)25-26-21(19-12-36-24(29(2,3)4)10-17(19)11-35-15-30(32,33)34)14-38-28(40(26)16-39-25)37-13-20-18-8-9-43-23(18)7-6-22(20)31;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-12(2,3)11-7-9(10(14)8-18-11)5-4-6-13(15,16)17;1-11(2,3)9-5-7(10(14)15-4)8(12)6-13-9;1-10(2,3)8-4-6(9(13)14)7(11)5-12-8;2*1-10(2,3)9-4-7(6-13)8(11)5-12-9;3-2(4,5)1-6;1-2;2-1-3;1-2;;1-5(2,3)4/h6-7,10,12,14,16,35H,5,8-9,11,13,15H2,1-4H3,(H,37,38);4-5,9-10H,2-3,6-8H2,1H3;7-8H,4-6H2,1-3H3;5-6H,1-4H3;4-5H,1-3H3,(H,13,14);4-5,13H,6H2,1-3H3;4-6H,1-3H3;1,6H2;1-2H3;;2H,1H3;1H4;(H2,1,2,3,4)/i;;;;;;;;1D;;;;.

What are the key properties of 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine?

5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine has a molecular weight of 2651.87 g/mol, XLogP of 26.44, 20 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-tert-butylpyridine-4-carbaldehyde;5-bromo-2-tert-butylpyridine-4-carboxylic acid;(5-bromo-2-tert-butyl-4-pyridinyl)methanol;5-bromo-2-tert-butyl-4-(4,4,4-trifluorobutyl)pyridine;8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;carbon dioxide;deuterioethane;ethyl 8-[6-tert-butyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methane;methanol;methyl 5-bromo-2-tert-butylpyridine-4-carboxylate;sulfuric acid;2,2,2-trifluoroethanamine is sourced from PubChem (CID 164994290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).