2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride

C77H82Br2ClF2N17O13S21 — CID 159105004

About 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride

2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride (PubChem CID 159105004) has the molecular formula C77H82Br2ClF2N17O13S21 and a molecular weight of 2360.27 g/mol. Its IUPAC name is 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride
• PubChem CID: 159105004
• Molecular Formula: C77H82Br2ClF2N17O13S21
• Molecular Weight: 2360.27 g/mol
• Exact Mass: 2354.84
• IUPAC Name: 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride
• SMILES: C.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cccc(Br)n1.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)O.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)OC(C)(C)C.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S
• InChI: InChI=1S/C27H25BrFN7O4.C21H24N4O4.C17H16N4O4.C11H12BrFN2O.CH4.ClH.S8.S7.S6/c1-14(37)26-19-8-18(16-10-30-15(2)31-11-16)22(40-3)9-20(19)36(34-26)13-25(38)35-12-17(29)7-21(35)27(39)33-24-6-4-5-23(28)32-24;1-12(26)20-16-7-15(14-9-22-13(2)23-10-14)18(28-6)8-17(16)25(24-20)11-19(27)29-21(3,4)5;1-9(22)17-13-4-12(11-6-18-10(2)19-7-11)15(25-3)5-14(13)21(20-17)8-16(23)24;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;;;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h4-6,8-11,17,21H,7,12-13H2,1-3H3,(H,32,33,39);7-10H,11H2,1-6H3;4-7H,8H2,1-3H3,(H,23,24);1-3,7,9,14H,4-6H2;1H4;1H;;;/t17-,21+;;;7-,9+;;;;;/m1..1...../s1
• InChIKey: RQQSDVBKMUZXNW-UTDXSYIXSA-N
• XLogP: 11.86
• TPSA: 377.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2360.27
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

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-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The IUPAC name of 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride (CID 159105004) is 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The canonical SMILES for 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride is C.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cccc(Br)n1.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)O.COc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)OC(C)(C)C.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.S=S=S=S=S=S.S=S=S=S=S=S=S.S=S=S=S=S=S=S=S.

What is the InChIKey of 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

The InChIKey is RQQSDVBKMUZXNW-UTDXSYIXSA-N. The full InChI is InChI=1S/C27H25BrFN7O4.C21H24N4O4.C17H16N4O4.C11H12BrFN2O.CH4.ClH.S8.S7.S6/c1-14(37)26-19-8-18(16-10-30-15(2)31-11-16)22(40-3)9-20(19)36(34-26)13-25(38)35-12-17(29)7-21(35)27(39)33-24-6-4-5-23(28)32-24;1-12(26)20-16-7-15(14-9-22-13(2)23-10-14)18(28-6)8-17(16)25(24-20)11-19(27)29-21(3,4)5;1-9(22)17-13-4-12(11-6-18-10(2)19-7-11)15(25-3)5-14(13)21(20-17)8-16(23)24;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;;;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2/h4-6,8-11,17,21H,7,12-13H2,1-3H3,(H,32,33,39);7-10H,11H2,1-6H3;4-7H,8H2,1-3H3,(H,23,24);1-3,7,9,14H,4-6H2;1H4;1H;;;/t17-,21+;;;7-,9+;;;;;/m1..1...../s1.

What are the key properties of 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride?

2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride has a molecular weight of 2360.27 g/mol, XLogP of 11.86, 20 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;methane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;hydrochloride is sourced from PubChem (CID 159105004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).