N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate

C63H66N8O7Si — CID 159345951

About N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate

N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate (PubChem CID 159345951) has the molecular formula C63H66N8O7Si and a molecular weight of 1075.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate.

Molecular Properties

• Compound Name: N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate
• PubChem CID: 159345951
• Molecular Formula: C63H66N8O7Si
• Molecular Weight: 1075.36 g/mol
• Exact Mass: 1074.48
• IUPAC Name: N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate
• SMILES: CC1=C(C(=O)Nc2cnn(Cc3ccccc3)c2)C=C(C2=Cc3ccccc3C2)C(=O)C1.Cc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n1COCC[Si](C)(C)C
• InChI: InChI=1S/C36H43N5O5Si.C27H23N3O2/c1-25-29(33(42)38-28-21-37-39(23-28)22-26-13-9-8-10-14-26)20-30(34(43)40(25)24-45-17-18-47(5,6)7)32-19-27-15-11-12-16-31(27)41(32)35(44)46-36(2,3)4;1-18-11-26(31)25(22-12-20-9-5-6-10-21(20)13-22)14-24(18)27(32)29-23-15-28-30(17-23)16-19-7-3-2-4-8-19/h8-16,19-21,23H,17-18,22,24H2,1-7H3,(H,38,42);2-10,12,14-15,17H,11,13,16H2,1H3,(H,29,32)
• InChIKey: LGSMXHUJQRQDIP-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 173.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.36
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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 N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate?

The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate (CID 159345951) is N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate.

What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate?

The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate is CC1=C(C(=O)Nc2cnn(Cc3ccccc3)c2)C=C(C2=Cc3ccccc3C2)C(=O)C1.Cc1c(C(=O)Nc2cnn(Cc3ccccc3)c2)cc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)c(=O)n1COCC[Si](C)(C)C.

What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate?

The InChIKey is LGSMXHUJQRQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N5O5Si.C27H23N3O2/c1-25-29(33(42)38-28-21-37-39(23-28)22-26-13-9-8-10-14-26)20-30(34(43)40(25)24-45-17-18-47(5,6)7)32-19-27-15-11-12-16-31(27)41(32)35(44)46-36(2,3)4;1-18-11-26(31)25(22-12-20-9-5-6-10-21(20)13-22)14-24(18)27(32)29-23-15-28-30(17-23)16-19-7-3-2-4-8-19/h8-16,19-21,23H,17-18,22,24H2,1-7H3,(H,38,42);2-10,12,14-15,17H,11,13,16H2,1H3,(H,29,32).

What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate?

N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate has a molecular weight of 1075.36 g/mol, XLogP of 12.10, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpyrazol-4-yl)-5-(1H-inden-2-yl)-2-methyl-4-oxocyclohexa-1,5-diene-1-carboxamide;tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-6-methyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]indole-1-carboxylate is sourced from PubChem (CID 159345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).