tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol

C143H202N14O24Si7 — CID 161182488

About tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol

tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol (PubChem CID 161182488) has the molecular formula C143H202N14O24Si7 and a molecular weight of 2697.86 g/mol. Its IUPAC name is tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol.

Molecular Properties

• Compound Name: tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol
• PubChem CID: 161182488
• Molecular Formula: C143H202N14O24Si7
• Molecular Weight: 2697.86 g/mol
• Exact Mass: 2695.34
• IUPAC Name: tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol
• SMILES: CC(C)(C)OC(=O)n1c(-c2cc(N)cn(COCC[Si](C)(C)C)c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])cn(COCC[Si](C)(C)C)c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1ccc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(CO[Si](C)(C)C(C)(C)C)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.O=C(O)c1ccc2[nH]ccc2c1.OCc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C43H59N5O6Si2.C31H47N3O7Si2.C31H49N3O5Si2.C20H31NO3Si.C9H7NO2.C9H9NO/c1-30-13-15-31(16-14-30)25-47-26-34(24-44-47)39(49)45-35-23-36(40(50)46(27-35)29-52-19-20-55(8,9)10)38-22-33-21-32(28-53-56(11,12)43(5,6)7)17-18-37(33)48(38)41(51)54-42(2,3)4;1-30(2,3)41-29(36)33-26-13-12-22(20-40-43(10,11)31(4,5)6)16-23(26)17-27(33)25-18-24(34(37)38)19-32(28(25)35)21-39-14-15-42(7,8)9;1-30(2,3)39-29(36)34-26-13-12-22(20-38-41(10,11)31(4,5)6)16-23(26)17-27(34)25-18-24(32)19-33(28(25)35)21-37-14-15-40(7,8)9;1-19(2,3)24-18(22)21-12-11-16-13-15(9-10-17(16)21)14-23-25(7,8)20(4,5)6;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-6-7-1-2-9-8(5-7)3-4-10-9/h13-18,21-24,26-27H,19-20,25,28-29H2,1-12H3,(H,45,49);12-13,16-19H,14-15,20-21H2,1-11H3;12-13,16-19H,14-15,20-21,32H2,1-11H3;9-13H,14H2,1-8H3;1-5,10H,(H,11,12);1-5,10-11H,6H2
• InChIKey: USQPDRYOVJHIPB-UHFFFAOYSA-N
• XLogP: 35.03
• TPSA: 460.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 37
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.86
LogP ≤ 5	35.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol?

The IUPAC name of tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol (CID 161182488) is tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol.

What is the SMILES notation for tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol?

The canonical SMILES for tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol is CC(C)(C)OC(=O)n1c(-c2cc(N)cn(COCC[Si](C)(C)C)c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])cn(COCC[Si](C)(C)C)c2=O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CC(C)(C)OC(=O)n1ccc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(CO[Si](C)(C)C(C)(C)C)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.O=C(O)c1ccc2[nH]ccc2c1.OCc1ccc2[nH]ccc2c1.

What is the InChIKey of tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol?

The InChIKey is USQPDRYOVJHIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59N5O6Si2.C31H47N3O7Si2.C31H49N3O5Si2.C20H31NO3Si.C9H7NO2.C9H9NO/c1-30-13-15-31(16-14-30)25-47-26-34(24-44-47)39(49)45-35-23-36(40(50)46(27-35)29-52-19-20-55(8,9)10)38-22-33-21-32(28-53-56(11,12)43(5,6)7)17-18-37(33)48(38)41(51)54-42(2,3)4;1-30(2,3)41-29(36)33-26-13-12-22(20-40-43(10,11)31(4,5)6)16-23(26)17-27(33)25-18-24(34(37)38)19-32(28(25)35)21-39-14-15-42(7,8)9;1-30(2,3)39-29(36)34-26-13-12-22(20-38-41(10,11)31(4,5)6)16-23(26)17-27(34)25-18-24(32)19-33(28(25)35)21-37-14-15-40(7,8)9;1-19(2,3)24-18(22)21-12-11-16-13-15(9-10-17(16)21)14-23-25(7,8)20(4,5)6;11-9(12)7-1-2-8-6(5-7)3-4-10-8;11-6-7-1-2-9-8(5-7)3-4-10-9/h13-18,21-24,26-27H,19-20,25,28-29H2,1-12H3,(H,45,49);12-13,16-19H,14-15,20-21H2,1-11H3;12-13,16-19H,14-15,20-21,32H2,1-11H3;9-13H,14H2,1-8H3;1-5,10H,(H,11,12);1-5,10-11H,6H2.

What are the key properties of tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol?

tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol has a molecular weight of 2697.86 g/mol, XLogP of 35.03, 37 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[5-amino-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[5-nitro-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;1H-indole-5-carboxylic acid;1H-indol-5-ylmethanol is sourced from PubChem (CID 161182488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).