2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride

C127H164Br3ClFI2N21O28Sn — CID 157079807

About 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride

2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride (PubChem CID 157079807) has the molecular formula C127H164Br3ClFI2N21O28Sn and a molecular weight of 3099.51 g/mol. Its IUPAC name is 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride
• PubChem CID: 157079807
• Molecular Formula: C127H164Br3ClFI2N21O28Sn
• Molecular Weight: 3099.51 g/mol
• Exact Mass: 3095.64
• IUPAC Name: 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.COC(=O)CBr.COCOCCBr.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)C(I)=NC2.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)O.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)c(I)nn2CC(=O)O.COCOCCOc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(C)nc1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2O)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C21H26N4O5.C20H22N4O6.C18H19IN4O5.C17H18IN3O3.C17H18N4O3.C11H12BrFN2O.C4H9BrO2.C4H7O.3C4H9.C3H5BrO2.ClH.Sn/c1-14-22-10-16(11-23-14)17-8-15-12-24-25(20(26)30-21(2,3)4)18(15)9-19(17)29-7-6-28-13-27-5;1-12(25)20-16-6-15(14-8-21-13(2)22-9-14)18(30-5-4-29-11-28-3)7-17(16)24(23-20)10-19(26)27;1-11-20-7-12(8-21-11)13-5-14-15(23(9-17(24)25)22-18(14)19)6-16(13)28-4-3-27-10-26-2;1-11-19-8-13(9-20-11)14-6-15-12(7-21-17(15)18)5-16(14)24-4-3-23-10-22-2;1-10-18-7-12(8-19-10)13-5-11-9-20-21(14(11)6-15(13)22)16(23)24-17(2,3)4;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;1-6-4-7-3-2-5;1-3-5-4-2;3*1-3-4-2;1-6-3(5)2-4;;/h8-12H,6-7,13H2,1-5H3;6-9H,4-5,10-11H2,1-3H3,(H,26,27);5-8H,3-4,9-10H2,1-2H3,(H,24,25);5-6,8-9H,3-4,7,10H2,1-2H3;5-9,22H,1-4H3;1-3,7,9,14H,4-6H2;2-4H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;2H2,1H3;1H;/t;;;;;7-,9+;;;;;;;;/m.....1......../s1
• InChIKey: BSAYZWAKZAUUEU-ZTWRADMOSA-N
• XLogP: 24.16
• TPSA: 583.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 54
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.51
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The IUPAC name of 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride (CID 157079807) is 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The canonical SMILES for 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.COC(=O)CBr.COCOCCBr.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)C(I)=NC2.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)c(C(C)=O)nn2CC(=O)O.COCOCCOc1cc2c(cc1-c1cnc(C)nc1)c(I)nn2CC(=O)O.COCOCCOc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cnc(C)nc1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2O)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The InChIKey is BSAYZWAKZAUUEU-ZTWRADMOSA-N. The full InChI is InChI=1S/C21H26N4O5.C20H22N4O6.C18H19IN4O5.C17H18IN3O3.C17H18N4O3.C11H12BrFN2O.C4H9BrO2.C4H7O.3C4H9.C3H5BrO2.ClH.Sn/c1-14-22-10-16(11-23-14)17-8-15-12-24-25(20(26)30-21(2,3)4)18(15)9-19(17)29-7-6-28-13-27-5;1-12(25)20-16-6-15(14-8-21-13(2)22-9-14)18(30-5-4-29-11-28-3)7-17(16)24(23-20)10-19(26)27;1-11-20-7-12(8-21-11)13-5-14-15(23(9-17(24)25)22-18(14)19)6-16(13)28-4-3-27-10-26-2;1-11-19-8-13(9-20-11)14-6-15-12(7-21-17(15)18)5-16(14)24-4-3-23-10-22-2;1-10-18-7-12(8-19-10)13-5-11-9-20-21(14(11)6-15(13)22)16(23)24-17(2,3)4;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;1-6-4-7-3-2-5;1-3-5-4-2;3*1-3-4-2;1-6-3(5)2-4;;/h8-12H,6-7,13H2,1-5H3;6-9H,4-5,10-11H2,1-3H3,(H,26,27);5-8H,3-4,9-10H2,1-2H3,(H,24,25);5-6,8-9H,3-4,7,10H2,1-2H3;5-9,22H,1-4H3;1-3,7,9,14H,4-6H2;2-4H2,1H3;1,4H2,2H3;3*1,3-4H2,2H3;2H2,1H3;1H;/t;;;;;7-,9+;;;;;;;;/m.....1......../s1.

What are the key properties of 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride has a molecular weight of 3099.51 g/mol, XLogP of 24.16, 54 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-bromo-2-(methoxymethoxy)ethane;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride is sourced from PubChem (CID 157079807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).