tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide

C113H135N15O15Si2 — CID 160869901

About tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide

tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide (PubChem CID 160869901) has the molecular formula C113H135N15O15Si2 and a molecular weight of 1999.58 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide
• PubChem CID: 160869901
• Molecular Formula: C113H135N15O15Si2
• Molecular Weight: 1999.58 g/mol
• Exact Mass: 1997.98
• IUPAC Name: tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(Cn2cc(C(=O)NC3=CCC(=O)C(C4=Cc5cc(OCCN6CCCCC6)ccc5C4)=C3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(O)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(OCCN6CCCCC6)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1
• InChI: InChI=1S/C43H56N6O6Si.C36H43N5O6Si.C34H36N4O3/c1-31-11-13-32(14-12-31)27-48-28-34(26-44-48)40(50)45-35-25-37(41(51)47(29-35)30-53-21-22-56(5,6)7)39-24-33-23-36(54-20-19-46-17-9-8-10-18-46)15-16-38(33)49(39)42(52)55-43(2,3)4;1-24-8-10-25(11-9-24)20-40-21-27(19-37-40)33(43)38-28-18-30(34(44)39(22-28)23-46-14-15-48(5,6)7)32-17-26-16-29(42)12-13-31(26)41(32)35(45)47-36(2,3)4;1-24-5-7-25(8-6-24)22-38-23-29(21-35-38)34(40)36-30-10-12-33(39)32(20-30)28-17-26-9-11-31(19-27(26)18-28)41-16-15-37-13-3-2-4-14-37/h11-16,23-26,28-29H,8-10,17-22,27,30H2,1-7H3,(H,45,50);8-13,16-19,21-22,42H,14-15,20,23H2,1-7H3,(H,38,43);5-11,18-21,23H,2-4,12-17,22H2,1H3,(H,36,40)
• InChIKey: SLPUCLFNHCHYQK-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 327.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.58
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide?

The IUPAC name of tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide (CID 160869901) is tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide.

What is the SMILES notation for tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide?

The canonical SMILES for tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide is Cc1ccc(Cn2cc(C(=O)NC3=CCC(=O)C(C4=Cc5cc(OCCN6CCCCC6)ccc5C4)=C3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(O)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(OCCN6CCCCC6)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.

What is the InChIKey of tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide?

The InChIKey is SLPUCLFNHCHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56N6O6Si.C36H43N5O6Si.C34H36N4O3/c1-31-11-13-32(14-12-31)27-48-28-34(26-44-48)40(50)45-35-25-37(41(51)47(29-35)30-53-21-22-56(5,6)7)39-24-33-23-36(54-20-19-46-17-9-8-10-18-46)15-16-38(33)49(39)42(52)55-43(2,3)4;1-24-8-10-25(11-9-24)20-40-21-27(19-37-40)33(43)38-28-18-30(34(44)39(22-28)23-46-14-15-48(5,6)7)32-17-26-16-29(42)12-13-31(26)41(32)35(45)47-36(2,3)4;1-24-5-7-25(8-6-24)22-38-23-29(21-35-38)34(40)36-30-10-12-33(39)32(20-30)28-17-26-9-11-31(19-27(26)18-28)41-16-15-37-13-3-2-4-14-37/h11-16,23-26,28-29H,8-10,17-22,27,30H2,1-7H3,(H,45,50);8-13,16-19,21-22,42H,14-15,20,23H2,1-7H3,(H,38,43);5-11,18-21,23H,2-4,12-17,22H2,1H3,(H,36,40).

What are the key properties of tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide?

tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide has a molecular weight of 1999.58 g/mol, XLogP of 20.57, 33 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-hydroxy-2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate;tert-butyl 2-[5-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate;1-[(4-methylphenyl)methyl]-N-[4-oxo-5-[5-(2-piperidin-1-ylethoxy)-1H-inden-2-yl]cyclohexa-1,5-dien-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 160869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).