tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole

C196H237I2N29O39Si6 — CID 159169754

IUPACtert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole
SMILESCC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cn[nH]c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.COC(=O)c1c[nH]c(=O)c(I)c1.COC(=O)c1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c1.COC(=O)c1cc(I)c(=O)n(COCC[Si](C)(C)C)c1.Cc1ccccc1Cn1cc(NC(=O)C2=CCC(=O)C(C3=Cc4ccccc4C3)=C2)cn1.Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c2)cn1.Nc1cn[nH]c1.O=[N+]([O-])c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/C36H43N5O5Si.C28H35N5O5Si.C27H23N3O2.C26H34N2O6Si.2C25H32N2O6Si.C13H20INO4Si.C7H6INO3.C3H3N3O2.C3H5N3.C3H4N2/c1-25-12-8-9-14-27(25)22-40-23-29(20-37-40)38-33(42)28-18-30(34(43)39(21-28)24-45-16-17-47(5,6)7)32-19-26-13-10-11-15-31(26)41(32)35(44)46-36(2,3)4;1-28(2,3)38-27(36)33-23-10-8-7-9-19(23)14-24(33)22-13-20(25(34)31-21-15-29-30-16-21)17-32(26(22)35)18-37-11-12-39(4,5)6;1-18-6-2-3-9-22(18)16-30-17-24(15-28-30)29-27(32)21-10-11-26(31)25(14-21)23-12-19-7-4-5-8-20(19)13-23;1-26(2,3)34-25(31)28-21-11-9-8-10-18(21)15-22(28)20-14-19(24(30)32-4)16-27(23(20)29)17-33-12-13-35(5,6)7;2*1-25(2,3)33-24(31)27-20-10-8-7-9-17(20)14-21(27)19-13-18(23(29)30)15-26(22(19)28)16-32-11-12-34(4,5)6;1-18-13(17)10-7-11(14)12(16)15(8-10)9-19-5-6-20(2,3)4;1-12-7(11)4-2-5(8)6(10)9-3-4;7-6(8)3-1-4-5-2-3;4-3-1-5-6-2-3;1-2-4-5-3-1/h8-15,18-21,23H,16-17,22,24H2,1-7H3,(H,38,42);7-10,13-17H,11-12,18H2,1-6H3,(H,29,30)(H,31,34);2-10,12,14-15,17H,11,13,16H2,1H3,(H,29,32);8-11,14-16H,12-13,17H2,1-7H3;2*7-10,13-15H,11-12,16H2,1-6H3,(H,29,30);7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,9,10);1-2H,(H,4,5);1-2H,4H2,(H,5,6);1-3H,(H,4,5)
InChIKeyKLNLURGFOPIHGU-UHFFFAOYSA-N
MW4045.54 g/mol
LogP37.47
Rot. Bonds52

About tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole

tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole (PubChem CID 159169754) has the molecular formula C196H237I2N29O39Si6 and a molecular weight of 4045.54 g/mol. Its IUPAC name is tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole.

Molecular Properties

Compound Nametert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole
PubChem CID159169754
Molecular FormulaC196H237I2N29O39Si6
Molecular Weight4045.54 g/mol
Exact Mass4042.42
IUPAC Nametert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole
SMILESCC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cn[nH]c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.COC(=O)c1c[nH]c(=O)c(I)c1.COC(=O)c1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c1.COC(=O)c1cc(I)c(=O)n(COCC[Si](C)(C)C)c1.Cc1ccccc1Cn1cc(NC(=O)C2=CCC(=O)C(C3=Cc4ccccc4C3)=C2)cn1.Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c2)cn1.Nc1cn[nH]c1.O=[N+]([O-])c1cn[nH]c1.c1cn[nH]c1
InChIInChI=1S/C36H43N5O5Si.C28H35N5O5Si.C27H23N3O2.C26H34N2O6Si.2C25H32N2O6Si.C13H20INO4Si.C7H6INO3.C3H3N3O2.C3H5N3.C3H4N2/c1-25-12-8-9-14-27(25)22-40-23-29(20-37-40)38-33(42)28-18-30(34(43)39(21-28)24-45-16-17-47(5,6)7)32-19-26-13-10-11-15-31(26)41(32)35(44)46-36(2,3)4;1-28(2,3)38-27(36)33-23-10-8-7-9-19(23)14-24(33)22-13-20(25(34)31-21-15-29-30-16-21)17-32(26(22)35)18-37-11-12-39(4,5)6;1-18-6-2-3-9-22(18)16-30-17-24(15-28-30)29-27(32)21-10-11-26(31)25(14-21)23-12-19-7-4-5-8-20(19)13-23;1-26(2,3)34-25(31)28-21-11-9-8-10-18(21)15-22(28)20-14-19(24(30)32-4)16-27(23(20)29)17-33-12-13-35(5,6)7;2*1-25(2,3)33-24(31)27-20-10-8-7-9-17(20)14-21(27)19-13-18(23(29)30)15-26(22(19)28)16-32-11-12-34(4,5)6;1-18-13(17)10-7-11(14)12(16)15(8-10)9-19-5-6-20(2,3)4;1-12-7(11)4-2-5(8)6(10)9-3-4;7-6(8)3-1-4-5-2-3;4-3-1-5-6-2-3;1-2-4-5-3-1/h8-15,18-21,23H,16-17,22,24H2,1-7H3,(H,38,42);7-10,13-17H,11-12,18H2,1-6H3,(H,29,30)(H,31,34);2-10,12,14-15,17H,11,13,16H2,1H3,(H,29,32);8-11,14-16H,12-13,17H2,1-7H3;2*7-10,13-15H,11-12,16H2,1-6H3,(H,29,30);7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,9,10);1-2H,(H,4,5);1-2H,4H2,(H,5,6);1-3H,(H,4,5)
InChIKeyKLNLURGFOPIHGU-UHFFFAOYSA-N
XLogP37.47
TPSA853.78 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds52
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004045.54
LogP ≤ 537.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

Analyze tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole with MolForge

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Related Compounds

tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-ethylindole-1-carboxylate;tert-butyl 5-ethylindole-1-carboxylate;tert-butyl 5-ethyl-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-ethyl-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indene-5-carboxylic acid;1H-inden-5-ylmethanol
CID 123976652
tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole
CID 157757843
tert-butyl 2-[5-amino-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(3-fluorophenyl)methyl]pyrazole-4-carbonyl]amino]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[6-methyl-5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-6-methyl-5-nitro-1H-pyridin-2-one;3-iodo-6-methyl-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one;6-methyl-5-nitro-1H-pyridin-2-one
CID 158596896
1-benzyl-N-[5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide;tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[(1-benzylpyrazole-4-carbonyl)amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-5-nitro-1H-pyridin-2-one;3-iodo-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
CID 159433063
tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[(1-benzylpyrazole-4-carbonyl)amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;3-iodo-5-nitro-1H-pyridin-2-one;3-iodo-5-nitro-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
CID 159587675
tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-ethoxycarbonyl-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;carbon dioxide;ethyl (E,2Z)-2-(1-aminoethylidene)hex-3-enoate;ethyl (Z)-3-amino-2-methylbut-2-enoate;ethyl 5-iodo-2-methyl-6-oxo-1H-pyridine-3-carboxylate;ethyl 5-iodo-2-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;ethyl 2-methyl-6-oxo-1H-pyridine-3-carboxylate;ethyl prop-2-ynoate;2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 160425203
1-benzyl-4-nitropyrazole;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid;4-nitro-1H-pyrazole;1H-pyrazole
CID 161236798
N-(1-benzylpyrazol-4-yl)-5-[5-(4-methylpiperazine-1-carbonyl)-1H-inden-2-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)indole-1-carboxylate;5-[5-(4-methylpiperazine-1-carbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 161880897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole?
The IUPAC name of tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole (CID 159169754) is tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole.
What is the SMILES notation for tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole?
The canonical SMILES for tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole is CC(C)(C)OC(=O)n1c(-c2cc(C(=O)Nc3cn[nH]c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(C(=O)O)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.COC(=O)c1c[nH]c(=O)c(I)c1.COC(=O)c1cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c1.COC(=O)c1cc(I)c(=O)n(COCC[Si](C)(C)C)c1.Cc1ccccc1Cn1cc(NC(=O)C2=CCC(=O)C(C3=Cc4ccccc4C3)=C2)cn1.Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c2)cn1.Nc1cn[nH]c1.O=[N+]([O-])c1cn[nH]c1.c1cn[nH]c1.
What is the InChIKey of tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole?
The InChIKey is KLNLURGFOPIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N5O5Si.C28H35N5O5Si.C27H23N3O2.C26H34N2O6Si.2C25H32N2O6Si.C13H20INO4Si.C7H6INO3.C3H3N3O2.C3H5N3.C3H4N2/c1-25-12-8-9-14-27(25)22-40-23-29(20-37-40)38-33(42)28-18-30(34(43)39(21-28)24-45-16-17-47(5,6)7)32-19-26-13-10-11-15-31(26)41(32)35(44)46-36(2,3)4;1-28(2,3)38-27(36)33-23-10-8-7-9-19(23)14-24(33)22-13-20(25(34)31-21-15-29-30-16-21)17-32(26(22)35)18-37-11-12-39(4,5)6;1-18-6-2-3-9-22(18)16-30-17-24(15-28-30)29-27(32)21-10-11-26(31)25(14-21)23-12-19-7-4-5-8-20(19)13-23;1-26(2,3)34-25(31)28-21-11-9-8-10-18(21)15-22(28)20-14-19(24(30)32-4)16-27(23(20)29)17-33-12-13-35(5,6)7;2*1-25(2,3)33-24(31)27-20-10-8-7-9-17(20)14-21(27)19-13-18(23(29)30)15-26(22(19)28)16-32-11-12-34(4,5)6;1-18-13(17)10-7-11(14)12(16)15(8-10)9-19-5-6-20(2,3)4;1-12-7(11)4-2-5(8)6(10)9-3-4;7-6(8)3-1-4-5-2-3;4-3-1-5-6-2-3;1-2-4-5-3-1/h8-15,18-21,23H,16-17,22,24H2,1-7H3,(H,38,42);7-10,13-17H,11-12,18H2,1-6H3,(H,29,30)(H,31,34);2-10,12,14-15,17H,11,13,16H2,1H3,(H,29,32);8-11,14-16H,12-13,17H2,1-7H3;2*7-10,13-15H,11-12,16H2,1-6H3,(H,29,30);7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,9,10);1-2H,(H,4,5);1-2H,4H2,(H,5,6);1-3H,(H,4,5).
What are the key properties of tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole?
tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole has a molecular weight of 4045.54 g/mol, XLogP of 37.47, 52 rotatable bonds, 11 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[2-oxo-5-(1H-pyrazol-4-ylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;5-(1H-inden-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-oxocyclohexa-1,5-diene-1-carboxamide;methyl 5-iodo-6-oxo-1H-pyridine-3-carboxylate;methyl 5-iodo-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylate;bis(5-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid);4-nitro-1H-pyrazole;1H-pyrazol-4-amine;1H-pyrazole is sourced from PubChem (CID 159169754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).