2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride

C104H103BBr3ClF12N20O15 — CID 159969839

About 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride (PubChem CID 159969839) has the molecular formula C104H103BBr3ClF12N20O15 and a molecular weight of 2387.05 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride
• PubChem CID: 159969839
• Molecular Formula: C104H103BBr3ClF12N20O15
• Molecular Weight: 2387.05 g/mol
• Exact Mass: 2382.51
• IUPAC Name: 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride
• SMILES: CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Cc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c(C(F)(F)F)cc(Br)cc12.Cc1ccc(Br)nc1CC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cc1ncc(B(O)O)cn1.Cl
• InChI: InChI=1S/C31H28BrF3N6O3.C21H21F3N4O3.C17H13F3N4O3.C16H16BrF3N2O3.C14H17BrN2O.C5H7BN2O2.ClH/c1-15-5-6-26(32)38-22(15)9-24(43)23-10-30(4)11-25(30)41(23)27(44)14-40-29-20(28(39-40)16(2)42)7-18(8-21(29)31(33,34)35)19-12-36-17(3)37-13-19;1-11(29)18-15-6-13(14-8-25-12(2)26-9-14)7-16(21(22,23)24)19(15)28(27-18)10-17(30)31-20(3,4)5;1-8(25)15-12-3-10(11-5-21-9(2)22-6-11)4-13(17(18,19)20)16(12)24(23-15)7-14(26)27;1-8(23)13-10-5-9(17)6-11(16(18,19)20)14(10)22(21-13)7-12(24)25-15(2,3)4;1-8-3-4-13(15)17-9(8)5-11(18)10-6-14(2)7-12(14)16-10;1-4-7-2-5(3-8-4)6(9)10;/h5-8,12-13,23,25H,9-11,14H2,1-4H3;6-9H,10H2,1-5H3;3-6H,7H2,1-2H3,(H,26,27);5-6H,7H2,1-4H3;3-4,10,12,16H,5-7H2,1-2H3;2-3,9-10H,1H3;1H/t23-,25+,30-;;;;10-,12+,14-;;/m0...0../s1
• InChIKey: CXQJVAHETWGOSW-RTXOZQJUSA-N
• XLogP: 18.81
• TPSA: 465.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2387.05
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride?

The IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride (CID 159969839) is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride?

The canonical SMILES for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride is CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Cc3nc(Br)ccc3C)C[C@@]3(C)C[C@@H]23)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)O)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c(C(F)(F)F)cc(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2c(C(F)(F)F)cc(Br)cc12.Cc1ccc(Br)nc1CC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cc1ncc(B(O)O)cn1.Cl.

What is the InChIKey of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride?

The InChIKey is CXQJVAHETWGOSW-RTXOZQJUSA-N. The full InChI is InChI=1S/C31H28BrF3N6O3.C21H21F3N4O3.C17H13F3N4O3.C16H16BrF3N2O3.C14H17BrN2O.C5H7BN2O2.ClH/c1-15-5-6-26(32)38-22(15)9-24(43)23-10-30(4)11-25(30)41(23)27(44)14-40-29-20(28(39-40)16(2)42)7-18(8-21(29)31(33,34)35)19-12-36-17(3)37-13-19;1-11(29)18-15-6-13(14-8-25-12(2)26-9-14)7-16(21(22,23)24)19(15)28(27-18)10-17(30)31-20(3,4)5;1-8(25)15-12-3-10(11-5-21-9(2)22-6-11)4-13(17(18,19)20)16(12)24(23-15)7-14(26)27;1-8(23)13-10-5-9(17)6-11(16(18,19)20)14(10)22(21-13)7-12(24)25-15(2,3)4;1-8-3-4-13(15)17-9(8)5-11(18)10-6-14(2)7-12(14)16-10;1-4-7-2-5(3-8-4)6(9)10;/h5-8,12-13,23,25H,9-11,14H2,1-4H3;6-9H,10H2,1-5H3;3-6H,7H2,1-2H3,(H,26,27);5-6H,7H2,1-4H3;3-4,10,12,16H,5-7H2,1-2H3;2-3,9-10H,1H3;1H/t23-,25+,30-;;;;10-,12+,14-;;/m0...0../s1.

What are the key properties of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride?

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride has a molecular weight of 2387.05 g/mol, XLogP of 18.81, 22 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetic acid;1-[(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetyl]-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;2-(6-bromo-3-methyl-2-pyridinyl)-1-[(1R,3S,5R)-5-methyl-2-azabicyclo[3.1.0]hexan-3-yl]ethanone;tert-butyl 2-[3-acetyl-5-bromo-7-(trifluoromethyl)indazol-1-yl]acetate;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(trifluoromethyl)indazol-1-yl]acetate;(2-methylpyrimidin-5-yl)boronic acid;hydrochloride is sourced from PubChem (CID 159969839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).