2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride

C92H94Br3ClF2N22O17 — CID 157461900

About 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride

2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride (PubChem CID 157461900) has the molecular formula C92H94Br3ClF2N22O17 and a molecular weight of 2093.06 g/mol. Its IUPAC name is 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride
• PubChem CID: 157461900
• Molecular Formula: C92H94Br3ClF2N22O17
• Molecular Weight: 2093.06 g/mol
• Exact Mass: 2088.44
• IUPAC Name: 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride
• SMILES: CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3cc(C)ncn3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Oc3cc(C)ncn3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Oc3cc(C)ncn3)cc12.Cc1cc(Br)ncn1.Cl.O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C26H23BrFN7O4.C20H22N4O4.C16H14N4O4.C15H18N2O4.C10H11BrFN3O.C5H5BrN2.ClH/c1-14-8-23(30-13-29-14)39-17-6-7-19-18(10-17)25(15(2)36)33-35(19)12-24(37)34-11-16(28)9-20(34)26(38)32-22-5-3-4-21(27)31-22;1-12-8-17(22-11-21-12)27-14-6-7-16-15(9-14)19(13(2)25)23-24(16)10-18(26)28-20(3,4)5;1-9-5-14(18-8-17-9)24-11-3-4-13-12(6-11)16(10(2)21)19-20(13)7-15(22)23;1-9(18)14-11-7-10(19)5-6-12(11)17(16-14)8-13(20)21-15(2,3)4;11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7;1-4-2-5(6)8-3-7-4;/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H,31,32,38);6-9,11H,10H2,1-5H3;3-6,8H,7H2,1-2H3,(H,22,23);5-7,19H,8H2,1-4H3;1-3,6-7,13H,4-5H2,(H,14,15,16);2-3H,1H3;1H/t16-,20+;;;;6-,7+;;/m1...1../s1
• InChIKey: BRPVHQDMWHOKSN-DXTMYDOJSA-N
• XLogP: 15.29
• TPSA: 496.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.06
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

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-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride?

The IUPAC name of 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride (CID 157461900) is 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride?

The canonical SMILES for 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(Oc3cc(C)ncn3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Oc3cc(C)ncn3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Oc3cc(C)ncn3)cc12.Cc1cc(Br)ncn1.Cl.O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride?

The InChIKey is BRPVHQDMWHOKSN-DXTMYDOJSA-N. The full InChI is InChI=1S/C26H23BrFN7O4.C20H22N4O4.C16H14N4O4.C15H18N2O4.C10H11BrFN3O.C5H5BrN2.ClH/c1-14-8-23(30-13-29-14)39-17-6-7-19-18(10-17)25(15(2)36)33-35(19)12-24(37)34-11-16(28)9-20(34)26(38)32-22-5-3-4-21(27)31-22;1-12-8-17(22-11-21-12)27-14-6-7-16-15(9-14)19(13(2)25)23-24(16)10-18(26)28-20(3,4)5;1-9-5-14(18-8-17-9)24-11-3-4-13-12(6-11)16(10(2)21)19-20(13)7-15(22)23;1-9(18)14-11-7-10(19)5-6-12(11)17(16-14)8-13(20)21-15(2,3)4;11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7;1-4-2-5(6)8-3-7-4;/h3-8,10,13,16,20H,9,11-12H2,1-2H3,(H,31,32,38);6-9,11H,10H2,1-5H3;3-6,8H,7H2,1-2H3,(H,22,23);5-7,19H,8H2,1-4H3;1-3,6-7,13H,4-5H2,(H,14,15,16);2-3H,1H3;1H/t16-,20+;;;;6-,7+;;/m1...1../s1.

What are the key properties of 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride?

2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride has a molecular weight of 2093.06 g/mol, XLogP of 15.29, 22 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;4-bromo-6-methylpyrimidine;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-(3-acetyl-5-hydroxyindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(6-methylpyrimidin-4-yl)oxyindazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 157461900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).