2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride

C85H94Br2ClN17O10 — CID 157208688

About 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride

2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride (PubChem CID 157208688) has the molecular formula C85H94Br2ClN17O10 and a molecular weight of 1709.06 g/mol. Its IUPAC name is 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride
• PubChem CID: 157208688
• Molecular Formula: C85H94Br2ClN17O10
• Molecular Weight: 1709.06 g/mol
• Exact Mass: 1705.54
• IUPAC Name: 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride
• SMILES: CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Nc4nc(Br)ccc4C)C[C@@]4(C)C[C@@H]34)c12.CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)O)c12.CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)OC(C)(C)C)c12.Cc1ccc(Br)nc1CC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cl
• InChI: InChI=1S/C31H32BrN7O3.C22H26N4O3.C18H18N4O3.C14H17BrN2O.ClH/c1-6-19-9-20(21-13-33-18(4)34-14-21)10-22-27(17(3)40)37-38(28(19)22)15-26(41)39-23(11-31(5)12-24(31)39)30(42)36-29-16(2)7-8-25(32)35-29;1-7-15-8-16(17-10-23-14(3)24-11-17)9-18-20(13(2)27)25-26(21(15)18)12-19(28)29-22(4,5)6;1-4-12-5-13(14-7-19-11(3)20-8-14)6-15-17(10(2)23)21-22(18(12)15)9-16(24)25;1-8-3-4-13(15)17-9(8)5-11(18)10-6-14(2)7-12(14)16-10;/h7-10,13-14,23-24H,6,11-12,15H2,1-5H3,(H,35,36,42);8-11H,7,12H2,1-6H3;5-8H,4,9H2,1-3H3,(H,24,25);3-4,10,12,16H,5-7H2,1-2H3;1H/t23-,24+,31-;;;10-,12+,14-;/m0..0./s1
• InChIKey: SSJWFAZNSDARNZ-PKLXCYAGSA-N
• XLogP: 14.44
• TPSA: 349.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.06
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride?

The IUPAC name of 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride (CID 157208688) is 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride?

The canonical SMILES for 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride is CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)N3[C@H](C(=O)Nc4nc(Br)ccc4C)C[C@@]4(C)C[C@@H]34)c12.CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)O)c12.CCc1cc(-c2cnc(C)nc2)cc2c(C(C)=O)nn(CC(=O)OC(C)(C)C)c12.Cc1ccc(Br)nc1CC(=O)[C@@H]1C[C@@]2(C)C[C@H]2N1.Cl.

What is the InChIKey of 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride?

The InChIKey is SSJWFAZNSDARNZ-PKLXCYAGSA-N. The full InChI is InChI=1S/C31H32BrN7O3.C22H26N4O3.C18H18N4O3.C14H17BrN2O.ClH/c1-6-19-9-20(21-13-33-18(4)34-14-21)10-22-27(17(3)40)37-38(28(19)22)15-26(41)39-23(11-31(5)12-24(31)39)30(42)36-29-16(2)7-8-25(32)35-29;1-7-15-8-16(17-10-23-14(3)24-11-17)9-18-20(13(2)27)25-26(21(15)18)12-19(28)29-22(4,5)6;1-4-12-5-13(14-7-19-11(3)20-8-14)6-15-17(10(2)23)21-22(18(12)15)9-16(24)25;1-8-3-4-13(15)17-9(8)5-11(18)10-6-14(2)7-12(14)16-10;/h7-10,13-14,23-24H,6,11-12,15H2,1-5H3,(H,35,36,42);8-11H,7,12H2,1-6H3;5-8H,4,9H2,1-3H3,(H,24,25);3-4,10,12,16H,5-7H2,1-2H3;1H/t23-,24+,31-;;;10-,12+,14-;/m0..0./s1.

What are the key properties of 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride?

2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride has a molecular weight of 1709.06 g/mol, XLogP of 14.44, 20 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide;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-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 157208688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).