N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C95H123F3N18O7Si4 — CID 163942273

About N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163942273) has the molecular formula C95H123F3N18O7Si4 and a molecular weight of 1798.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 163942273
• Molecular Formula: C95H123F3N18O7Si4
• Molecular Weight: 1798.49 g/mol
• Exact Mass: 1796.89
• IUPAC Name: N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CCC4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)NCCC#N)C4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NCCC#N)C4)n[nH]c2c1
• InChI: InChI=1S/C37H52FN7O3Si2.C34H49FN4O2Si2.C24H22FN7O2/c1-9-27-19-26(2)31(38)21-30(27)28-11-12-29-33(20-28)45(25-48-16-18-50(6,7)8)42-35(29)36-41-32-22-43(37(46)40-14-10-13-39)23-34(32)44(36)24-47-15-17-49(3,4)5;1-9-25-19-24(2)29(35)21-28(25)26-13-14-27-32(20-26)39(23-41-16-18-43(6,7)8)37-33(27)34-36-30-11-10-12-31(30)38(34)22-40-15-17-42(3,4)5;1-2-13-9-21(33)17(25)10-16(13)14-4-5-15-18(8-14)30-31-22(15)23-28-19-11-32(12-20(19)29-23)24(34)27-7-3-6-26/h11-12,19-21H,9-10,14-18,22-25H2,1-8H3,(H,40,46);13-14,19-21H,9-12,15-18,22-23H2,1-8H3;4-5,8-10,33H,2-3,7,11-12H2,1H3,(H,27,34)(H,28,29)(H,30,31)
• InChIKey: RSAMSWBVKFFXTN-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 298.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.49
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

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-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 163942273) is N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CCC4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)NCCC#N)C4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NCCC#N)C4)n[nH]c2c1.

What is the InChIKey of N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is RSAMSWBVKFFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52FN7O3Si2.C34H49FN4O2Si2.C24H22FN7O2/c1-9-27-19-26(2)31(38)21-30(27)28-11-12-29-33(20-28)45(25-48-16-18-50(6,7)8)42-35(29)36-41-32-22-43(37(46)40-14-10-13-39)23-34(32)44(36)24-47-15-17-49(3,4)5;1-9-25-19-24(2)29(35)21-28(25)26-13-14-27-32(20-26)39(23-41-16-18-43(6,7)8)37-33(27)34-36-30-11-10-12-31(30)38(34)22-40-15-17-42(3,4)5;1-2-13-9-21(33)17(25)10-16(13)14-4-5-15-18(8-14)30-31-22(15)23-28-19-11-32(12-20(19)29-23)24(34)27-7-3-6-26/h11-12,19-21H,9-10,14-18,22-25H2,1-8H3,(H,40,46);13-14,19-21H,9-12,15-18,22-23H2,1-8H3;4-5,8-10,33H,2-3,7,11-12H2,1H3,(H,27,34)(H,28,29)(H,30,31).

What are the key properties of N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1798.49 g/mol, XLogP of 20.80, 33 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide;N-(2-cyanoethyl)-2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide;2-[[6-(2-ethyl-5-fluoro-4-methylphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163942273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).