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

C188H220Br3ClFI2N25O28Sn — CID 158416116

IUPAC2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride
SMILESBrCCOCc1ccccc1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nn(CC(=O)O)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)CBr.Cc1ncc(-c2cc3c(I)nn(CC(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cc1ncc(-c2cc3c(cc2OCCOCc2ccccc2)CN=C3I)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2O)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C29H32N4O5.C27H29IN4O4.C26H28N4O4.C25H24N4O5.C22H20IN3O2.C17H18N4O3.C11H12BrFN2O.C9H11BrO.C6H11BrO2.C4H7O.3C4H9.ClH.Sn/c1-19(34)28-24-13-23(22-15-30-20(2)31-16-22)26(37-12-11-36-18-21-9-7-6-8-10-21)14-25(24)33(32-28)17-27(35)38-29(3,4)5;1-18-29-14-20(15-30-18)21-12-22-23(32(31-26(22)28)16-25(33)36-27(2,3)4)13-24(21)35-11-10-34-17-19-8-6-5-7-9-19;1-18-27-14-21(15-28-18)22-12-20-16-29-30(25(31)34-26(2,3)4)23(20)13-24(22)33-11-10-32-17-19-8-6-5-7-9-19;1-16(30)25-21-10-20(19-12-26-17(2)27-13-19)23(11-22(21)29(28-25)14-24(31)32)34-9-8-33-15-18-6-4-3-5-7-18;1-15-24-12-18(13-25-15)19-10-20-17(11-26-22(20)23)9-21(19)28-8-7-27-14-16-5-3-2-4-6-16;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;10-6-7-11-8-9-4-2-1-3-5-9;1-6(2,3)9-5(8)4-7;1-3-5-4-2;3*1-3-4-2;;/h6-10,13-16H,11-12,17-18H2,1-5H3;5-9,12-15H,10-11,16-17H2,1-4H3;5-9,12-16H,10-11,17H2,1-4H3;3-7,10-13H,8-9,14-15H2,1-2H3,(H,31,32);2-6,9-10,12-13H,7-8,11,14H2,1H3;5-9,22H,1-4H3;1-3,7,9,14H,4-6H2;1-5H,6-8H2;4H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H;/t;;;;;;7-,9+;;;;;;;;/m......1......../s1
InChIKeyUGNIWOVLRBWDCQ-GFHXFIHGSA-N
MW3944.66 g/mol
LogP39.51
Rot. Bonds64

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

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride (PubChem CID 158416116) has the molecular formula C188H220Br3ClFI2N25O28Sn and a molecular weight of 3944.66 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride
PubChem CID158416116
Molecular FormulaC188H220Br3ClFI2N25O28Sn
Molecular Weight3944.66 g/mol
Exact Mass3940.09
IUPAC Name2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride
SMILESBrCCOCc1ccccc1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nn(CC(=O)O)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)CBr.Cc1ncc(-c2cc3c(I)nn(CC(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cc1ncc(-c2cc3c(cc2OCCOCc2ccccc2)CN=C3I)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2O)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C29H32N4O5.C27H29IN4O4.C26H28N4O4.C25H24N4O5.C22H20IN3O2.C17H18N4O3.C11H12BrFN2O.C9H11BrO.C6H11BrO2.C4H7O.3C4H9.ClH.Sn/c1-19(34)28-24-13-23(22-15-30-20(2)31-16-22)26(37-12-11-36-18-21-9-7-6-8-10-21)14-25(24)33(32-28)17-27(35)38-29(3,4)5;1-18-29-14-20(15-30-18)21-12-22-23(32(31-26(22)28)16-25(33)36-27(2,3)4)13-24(21)35-11-10-34-17-19-8-6-5-7-9-19;1-18-27-14-21(15-28-18)22-12-20-16-29-30(25(31)34-26(2,3)4)23(20)13-24(22)33-11-10-32-17-19-8-6-5-7-9-19;1-16(30)25-21-10-20(19-12-26-17(2)27-13-19)23(11-22(21)29(28-25)14-24(31)32)34-9-8-33-15-18-6-4-3-5-7-18;1-15-24-12-18(13-25-15)19-10-20-17(11-26-22(20)23)9-21(19)28-8-7-27-14-16-5-3-2-4-6-16;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;10-6-7-11-8-9-4-2-1-3-5-9;1-6(2,3)9-5(8)4-7;1-3-5-4-2;3*1-3-4-2;;/h6-10,13-16H,11-12,17-18H2,1-5H3;5-9,12-15H,10-11,16-17H2,1-4H3;5-9,12-16H,10-11,17H2,1-4H3;3-7,10-13H,8-9,14-15H2,1-2H3,(H,31,32);2-6,9-10,12-13H,7-8,11,14H2,1H3;5-9,22H,1-4H3;1-3,7,9,14H,4-6H2;1-5H,6-8H2;4H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H;/t;;;;;;7-,9+;;;;;;;;/m......1......../s1
InChIKeyUGNIWOVLRBWDCQ-GFHXFIHGSA-N
XLogP39.51
TPSA632.06 Ų
H-Bond Donors3
H-Bond Acceptors52
Rotatable Bonds64
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003944.66
LogP ≤ 539.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1052

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'}

Analyze 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride with MolForge

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Related Compounds

CID 158692604
CID 158692604
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
CID 157108691
CID 157108691
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
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
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-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-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-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;sulfanylidene-[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;hydrochloride
CID 159105004
2-[3-acetyl-1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-6-yl]oxyethyl methanesulfonate;(2S,4R)-1-[2-[3-acetyl-6-[2-(dimethylamino)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-(2-hydroxyethoxy)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 159390713
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-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-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-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;sulfanylidene-[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;hydrochloride
CID 159842057
(2S,4R)-1-[2-[3-acetyl-6-[2-(dimethylamino)-2-oxoethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-propoxyindazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 160060404
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;3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)-1H-isoindole;methyl 2-bromoacetate;methyl 2-[3-iodo-6-[2-(methoxymethoxy)ethoxy]-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate;tributyl(1-ethoxyethenyl)stannane;hydrochloride
CID 160606926
(5R,7S,11Z,26S)-21-acetyl-26-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-9,16-dioxa-1,4,22-triazapentacyclo[15.5.2.24,7.05,7.020,23]hexacosa-11,17,19,21,23-pentaen-3-one;(5R,7S,11E,26S)-21-acetyl-26-[2-(6-bromo-3-methyl-2-pyridinyl)acetyl]-18-(2-methylpyrimidin-5-yl)-9,16-dioxa-1,4,22-triazapentacyclo[15.5.2.24,7.05,7.020,23]hexacosa-11,17,19,21,23-pentaen-3-one;2-[3-acetyl-6-hex-5-enoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;1-[(1R,3S,5S)-2-[2-[3-acetyl-6-hex-5-enoxy-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexan-3-yl]-2-(6-bromo-3-methyl-2-pyridinyl)ethanone;(1R,3S,5S)-N-(6-bromo-3-methyl-2-pyridinyl)-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 161492118

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The IUPAC name of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride (CID 158416116) is 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride.
What is the SMILES notation for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The canonical SMILES for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride is BrCCOCc1ccccc1.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CC(=O)c1nn(CC(=O)O)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(OCCOCc3ccccc3)c(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)CBr.Cc1ncc(-c2cc3c(I)nn(CC(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cc1ncc(-c2cc3c(cc2OCCOCc2ccccc2)CN=C3I)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2O)cn1.Cc1ncc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2OCCOCc2ccccc2)cn1.Cl.O=C(Cc1cccc(Br)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
The InChIKey is UGNIWOVLRBWDCQ-GFHXFIHGSA-N. The full InChI is InChI=1S/C29H32N4O5.C27H29IN4O4.C26H28N4O4.C25H24N4O5.C22H20IN3O2.C17H18N4O3.C11H12BrFN2O.C9H11BrO.C6H11BrO2.C4H7O.3C4H9.ClH.Sn/c1-19(34)28-24-13-23(22-15-30-20(2)31-16-22)26(37-12-11-36-18-21-9-7-6-8-10-21)14-25(24)33(32-28)17-27(35)38-29(3,4)5;1-18-29-14-20(15-30-18)21-12-22-23(32(31-26(22)28)16-25(33)36-27(2,3)4)13-24(21)35-11-10-34-17-19-8-6-5-7-9-19;1-18-27-14-21(15-28-18)22-12-20-16-29-30(25(31)34-26(2,3)4)23(20)13-24(22)33-11-10-32-17-19-8-6-5-7-9-19;1-16(30)25-21-10-20(19-12-26-17(2)27-13-19)23(11-22(21)29(28-25)14-24(31)32)34-9-8-33-15-18-6-4-3-5-7-18;1-15-24-12-18(13-25-15)19-10-20-17(11-26-22(20)23)9-21(19)28-8-7-27-14-16-5-3-2-4-6-16;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;10-6-7-11-8-9-4-2-1-3-5-9;1-6(2,3)9-5(8)4-7;1-3-5-4-2;3*1-3-4-2;;/h6-10,13-16H,11-12,17-18H2,1-5H3;5-9,12-15H,10-11,16-17H2,1-4H3;5-9,12-16H,10-11,17H2,1-4H3;3-7,10-13H,8-9,14-15H2,1-2H3,(H,31,32);2-6,9-10,12-13H,7-8,11,14H2,1H3;5-9,22H,1-4H3;1-3,7,9,14H,4-6H2;1-5H,6-8H2;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-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride?
2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride has a molecular weight of 3944.66 g/mol, XLogP of 39.51, 64 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetic acid;2-bromoethoxymethylbenzene;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 2-bromoacetate;tert-butyl 6-hydroxy-5-(2-methylpyrimidin-5-yl)indazole-1-carboxylate;tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate;tert-butyl 5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazole-1-carboxylate;3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)-1H-isoindole;tributyl(1-ethoxyethenyl)stannane;hydrochloride is sourced from PubChem (CID 158416116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).