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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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

C77H81Br2ClFN17O13S21 — CID 159842057

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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 159842057) has the molecular formula C77H81Br2ClFN17O13S21 and a molecular weight of 2340.27 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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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: 159842057
• Molecular Formula: C77H81Br2ClFN17O13S21
• Molecular Weight: 2340.27 g/mol
• Exact Mass: 2334.84
• 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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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: 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.C[C@H]1CN[C@H](C(=O)Cc2cccc(Br)n2)C1.Cl.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.C12H15BrN2O.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;1-8-5-10(14-7-8)11(16)6-9-3-2-4-12(13)15-9;;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);2-4,8,10,14H,5-7H2,1H3;1H;;;/t17-,21+;;;8-,10+;;;;/m1..1..../s1
• InChIKey: IKFBZPSJMHCXIQ-ZSSQIGNWSA-N
• XLogP: 11.53
• TPSA: 377.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2340.27
LogP ≤ 5	11.53
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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 159842057) 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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 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.C[C@H]1CN[C@H](C(=O)Cc2cccc(Br)n2)C1.Cl.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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 IKFBZPSJMHCXIQ-ZSSQIGNWSA-N. The full InChI is InChI=1S/C27H25BrFN7O4.C21H24N4O4.C17H16N4O4.C12H15BrN2O.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;1-8-5-10(14-7-8)11(16)6-9-3-2-4-12(13)15-9;;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);2-4,8,10,14H,5-7H2,1H3;1H;;;/t17-,21+;;;8-,10+;;;;/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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 2340.27 g/mol, XLogP of 11.53, 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-methylpyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-methoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;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 159842057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).