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

C125H146I2N18O24Si4 — CID 159433063

About 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

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 (PubChem CID 159433063) has the molecular formula C125H146I2N18O24Si4 and a molecular weight of 2650.80 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159433063
• Molecular Formula: C125H146I2N18O24Si4
• Molecular Weight: 2650.80 g/mol
• Exact Mass: 2648.79
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)n1c(-c2cc(N)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(NC(=O)c3cnn(Cc4ccccc4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.C[Si](C)(C)CCOCn1cc([N+](=O)[O-])cc(I)c1=O.O=C1CC=C(NC(=O)c2cnn(Cc3ccccc3)c2)C=C1C1=Cc2ccccc2C1.O=c1[nH]cc([N+](=O)[O-])cc1I
• InChI: InChI=1S/C35H41N5O5Si.C26H21N3O2.C24H31N3O6Si.C24H33N3O4Si.C11H17IN2O4Si.C5H3IN2O3/c1-35(2,3)45-34(43)40-30-15-11-10-14-26(30)18-31(40)29-19-28(23-38(33(29)42)24-44-16-17-46(4,5)6)37-32(41)27-20-36-39(22-27)21-25-12-8-7-9-13-25;30-25-11-10-23(14-24(25)21-12-19-8-4-5-9-20(19)13-21)28-26(31)22-15-27-29(17-22)16-18-6-2-1-3-7-18;1-24(2,3)33-23(29)26-20-10-8-7-9-17(20)13-21(26)19-14-18(27(30)31)15-25(22(19)28)16-32-11-12-34(4,5)6;1-24(2,3)31-23(29)27-20-10-8-7-9-17(20)13-21(27)19-14-18(25)15-26(22(19)28)16-30-11-12-32(4,5)6;1-19(2,3)5-4-18-8-13-7-9(14(16)17)6-10(12)11(13)15;6-4-1-3(8(10)11)2-7-5(4)9/h7-15,18-20,22-23H,16-17,21,24H2,1-6H3,(H,37,41);1-10,12,14-15,17H,11,13,16H2,(H,28,31);7-10,13-15H,11-12,16H2,1-6H3;7-10,13-15H,11-12,16,25H2,1-6H3;6-7H,4-5,8H2,1-3H3;1-2H,(H,7,9)
• InChIKey: LRFOOVONWXMOLN-UHFFFAOYSA-N
• XLogP: 25.33
• TPSA: 517.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.80
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)n1c(-c2cc(N)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc(NC(=O)c3cnn(Cc4ccccc4)c3)cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.CC(C)(C)OC(=O)n1c(-c2cc([N+](=O)[O-])cn(COCC[Si](C)(C)C)c2=O)cc2ccccc21.C[Si](C)(C)CCOCn1cc([N+](=O)[O-])cc(I)c1=O.O=C1CC=C(NC(=O)c2cnn(Cc3ccccc3)c2)C=C1C1=Cc2ccccc2C1.O=c1[nH]cc([N+](=O)[O-])cc1I.

What is the InChIKey of 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?

The InChIKey is LRFOOVONWXMOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5Si.C26H21N3O2.C24H31N3O6Si.C24H33N3O4Si.C11H17IN2O4Si.C5H3IN2O3/c1-35(2,3)45-34(43)40-30-15-11-10-14-26(30)18-31(40)29-19-28(23-38(33(29)42)24-44-16-17-46(4,5)6)37-32(41)27-20-36-39(22-27)21-25-12-8-7-9-13-25;30-25-11-10-23(14-24(25)21-12-19-8-4-5-9-20(19)13-21)28-26(31)22-15-27-29(17-22)16-18-6-2-1-3-7-18;1-24(2,3)33-23(29)26-20-10-8-7-9-17(20)13-21(26)19-14-18(27(30)31)15-25(22(19)28)16-32-11-12-34(4,5)6;1-24(2,3)31-23(29)27-20-10-8-7-9-17(20)13-21(27)19-14-18(25)15-26(22(19)28)16-30-11-12-32(4,5)6;1-19(2,3)5-4-18-8-13-7-9(14(16)17)6-10(12)11(13)15;6-4-1-3(8(10)11)2-7-5(4)9/h7-15,18-20,22-23H,16-17,21,24H2,1-6H3,(H,37,41);1-10,12,14-15,17H,11,13,16H2,(H,28,31);7-10,13-15H,11-12,16H2,1-6H3;7-10,13-15H,11-12,16,25H2,1-6H3;6-7H,4-5,8H2,1-3H3;1-2H,(H,7,9).

What are the key properties of 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?

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 has a molecular weight of 2650.80 g/mol, XLogP of 25.33, 35 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).