2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride

C137H176Br2ClFI2N26O24Sn — CID 158917067

About 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride

2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride (PubChem CID 158917067) has the molecular formula C137H176Br2ClFI2N26O24Sn and a molecular weight of 3157.85 g/mol. Its IUPAC name is 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride
• PubChem CID: 158917067
• Molecular Formula: C137H176Br2ClFI2N26O24Sn
• Molecular Weight: 3157.85 g/mol
• Exact Mass: 3154.85
• IUPAC Name: 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride
• SMILES: C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nn(CC(=O)O)c2cc(OCC(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(OCC(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)CBr.Cc1ncc(-c2cc3c(I)nn(CC(=O)OC(C)(C)C)c3cc2OCC(=O)N(C)C)cn1.Cc1ncc(-c2cc3c(cc2OCC(=O)N(C)C)CN=C3I)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2OCC(=O)N(C)C)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C24H29N5O5.C22H26IN5O4.C21H25N5O4.C20H21N5O5.C17H17IN4O2.C11H12BrFN2O.C6H11BrO2.C4H7O.3C4H9.ClH.Sn/c1-14(30)23-18-8-17(16-10-25-15(2)26-11-16)20(33-13-21(31)28(6)7)9-19(18)29(27-23)12-22(32)34-24(3,4)5;1-13-24-9-14(10-25-13)15-7-16-17(8-18(15)31-12-19(29)27(5)6)28(26-21(16)23)11-20(30)32-22(2,3)4;1-13-22-9-15(10-23-13)16-7-14-11-24-26(20(28)30-21(2,3)4)17(14)8-18(16)29-12-19(27)25(5)6;1-11(26)20-15-5-14(13-7-21-12(2)22-8-13)17(30-10-18(27)24(3)4)6-16(15)25(23-20)9-19(28)29;1-10-19-7-12(8-20-10)13-5-14-11(6-21-17(14)18)4-15(13)24-9-16(23)22(2)3;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;1-6(2,3)9-5(8)4-7;1-3-5-4-2;3*1-3-4-2;;/h8-11H,12-13H2,1-7H3;7-10H,11-12H2,1-6H3;7-11H,12H2,1-6H3;5-8H,9-10H2,1-4H3,(H,28,29);4-5,7-8H,6,9H2,1-3H3;1-3,7,9,14H,4-6H2;4H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H;/t;;;;;7-,9+;;;;;;;/m.....1......./s1
• InChIKey: VQTCJOPYXQQMBX-RZVHURAYSA-N
• XLogP: 22.98
• TPSA: 588.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3157.85
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The IUPAC name of 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride (CID 158917067) is 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The canonical SMILES for 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nn(CC(=O)O)c2cc(OCC(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(OCC(=O)N(C)C)c(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)CBr.Cc1ncc(-c2cc3c(I)nn(CC(=O)OC(C)(C)C)c3cc2OCC(=O)N(C)C)cn1.Cc1ncc(-c2cc3c(cc2OCC(=O)N(C)C)CN=C3I)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2OCC(=O)N(C)C)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

The InChIKey is VQTCJOPYXQQMBX-RZVHURAYSA-N. The full InChI is InChI=1S/C24H29N5O5.C22H26IN5O4.C21H25N5O4.C20H21N5O5.C17H17IN4O2.C11H12BrFN2O.C6H11BrO2.C4H7O.3C4H9.ClH.Sn/c1-14(30)23-18-8-17(16-10-25-15(2)26-11-16)20(33-13-21(31)28(6)7)9-19(18)29(27-23)12-22(32)34-24(3,4)5;1-13-24-9-14(10-25-13)15-7-16-17(8-18(15)31-12-19(29)27(5)6)28(26-21(16)23)11-20(30)32-22(2,3)4;1-13-22-9-15(10-23-13)16-7-14-11-24-26(20(28)30-21(2,3)4)17(14)8-18(16)29-12-19(27)25(5)6;1-11(26)20-15-5-14(13-7-21-12(2)22-8-13)17(30-10-18(27)24(3)4)6-16(15)25(23-20)9-19(28)29;1-10-19-7-12(8-20-10)13-5-14-11(6-21-17(14)18)4-15(13)24-9-16(23)22(2)3;12-11-3-1-2-8(15-11)5-10(16)9-4-7(13)6-14-9;1-6(2,3)9-5(8)4-7;1-3-5-4-2;3*1-3-4-2;;/h8-11H,12-13H2,1-7H3;7-10H,11-12H2,1-6H3;7-11H,12H2,1-6H3;5-8H,9-10H2,1-4H3,(H,28,29);4-5,7-8H,6,9H2,1-3H3;1-3,7,9,14H,4-6H2;4H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H;/t;;;;;7-,9+;;;;;;;/m.....1......./s1.

What are the key properties of 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride?

2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride has a molecular weight of 3157.85 g/mol, XLogP of 22.98, 44 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 2-[6-[2-(dimethylamino)-2-oxoethoxy]-3-iodo-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tert-butyl 6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;2-[[1-iodo-6-(2-methylpyrimidin-5-yl)-3H-isoindol-5-yl]oxy]-N,N-dimethylacetamide;tributyl(1-ethoxyethenyl)stannane;hydrochloride is sourced from PubChem (CID 158917067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).