N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid

C116H143BBr2F6N24O11 — CID 158560974

About N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid

N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid (PubChem CID 158560974) has the molecular formula C116H143BBr2F6N24O11 and a molecular weight of 2334.18 g/mol. Its IUPAC name is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid.

Molecular Properties

• Compound Name: N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid
• PubChem CID: 158560974
• Molecular Formula: C116H143BBr2F6N24O11
• Molecular Weight: 2334.18 g/mol
• Exact Mass: 2330.97
• IUPAC Name: N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid
• SMILES: CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cccc(C)c3)nn2C)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.Cc1cccc(CC(=O)O)c1.Cn1nc(N)cc1Br.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br
• InChI: InChI=1S/C34H43N7O3.C29H32F3N7O.C27H41BN4O4.C13H11BrF3N3O.C9H10O2.C4H6BrN3/c1-7-23-17-24(28-19-29(40-41(28)6)38-30(42)16-22-10-8-9-21(2)15-22)18-25-20-35-32(39-31(23)25)36-26-11-13-27(14-12-26)37-33(43)44-34(3,4)5;1-3-18-13-19(14-20-16-34-28(37-27(18)20)35-23-9-7-22(33)8-10-23)24-15-25(38-39(24)2)36-26(40)12-17-5-4-6-21(11-17)29(30,31)32;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;1-7-3-2-4-8(5-7)6-9(10)11;1-8-3(5)2-4(6)7-8/h8-10,15,17-20,26-27H,7,11-14,16H2,1-6H3,(H,37,43)(H,35,36,39)(H,38,40,42);4-6,11,13-16,22-23H,3,7-10,12,33H2,1-2H3,(H,34,35,37)(H,36,38,40);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);2-5,7H,6H2,1H3,(H,18,19,21);2-5H,6H2,1H3,(H,10,11);2H,1H3,(H2,6,7)
• InChIKey: HQWOREFXYASPHE-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 456.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.18
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid?

The IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid (CID 158560974) is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid.

What is the SMILES notation for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid?

The canonical SMILES for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid is CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12.CCc1cc(-c2cc(NC(=O)Cc3cccc(C)c3)nn2C)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)nc12.Cc1cccc(CC(=O)O)c1.Cn1nc(N)cc1Br.Cn1nc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br.

What is the InChIKey of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid?

The InChIKey is HQWOREFXYASPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O3.C29H32F3N7O.C27H41BN4O4.C13H11BrF3N3O.C9H10O2.C4H6BrN3/c1-7-23-17-24(28-19-29(40-41(28)6)38-30(42)16-22-10-8-9-21(2)15-22)18-25-20-35-32(39-31(23)25)36-26-11-13-27(14-12-26)37-33(43)44-34(3,4)5;1-3-18-13-19(14-20-16-34-28(37-27(18)20)35-23-9-7-22(33)8-10-23)24-15-25(38-39(24)2)36-26(40)12-17-5-4-6-21(11-17)29(30,31)32;1-9-17-14-19(28-35-26(5,6)27(7,8)36-28)15-18-16-29-23(32-22(17)18)30-20-10-12-21(13-11-20)31-24(33)34-25(2,3)4;1-20-10(14)7-11(19-20)18-12(21)6-8-3-2-4-9(5-8)13(15,16)17;1-7-3-2-4-8(5-7)6-9(10)11;1-8-3(5)2-4(6)7-8/h8-10,15,17-20,26-27H,7,11-14,16H2,1-6H3,(H,37,43)(H,35,36,39)(H,38,40,42);4-6,11,13-16,22-23H,3,7-10,12,33H2,1-2H3,(H,34,35,37)(H,36,38,40);14-16,20-21H,9-13H2,1-8H3,(H,31,33)(H,29,30,32);2-5,7H,6H2,1H3,(H,18,19,21);2-5H,6H2,1H3,(H,10,11);2H,1H3,(H2,6,7).

What are the key properties of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid?

N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid has a molecular weight of 2334.18 g/mol, XLogP of 22.31, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-1-methylpyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide;5-bromo-1-methylpyrazol-3-amine;N-(5-bromo-1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide;tert-butyl N-[4-[[8-ethyl-6-[1-methyl-3-[[2-(3-methylphenyl)acetyl]amino]pyrazol-5-yl]quinazolin-2-yl]amino]cyclohexyl]carbamate;tert-butyl N-[4-[[8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-yl]amino]cyclohexyl]carbamate;2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 158560974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).