[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C108H136F3N17O11Si4 — CID 163983977

About [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 163983977) has the molecular formula C108H136F3N17O11Si4 and a molecular weight of 2017.72 g/mol. Its IUPAC name is [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• PubChem CID: 163983977
• Molecular Formula: C108H136F3N17O11Si4
• Molecular Weight: 2017.72 g/mol
• Exact Mass: 2015.96
• IUPAC Name: [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N3CC[C@@H](O)C3)C4)n[nH]c2c1.CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)N3CC[C@@H](O)C3)C4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C44H59FN6O5Si2.C39H52FN5O3Si2.C25H25FN6O3/c1-8-32-23-41(56-28-31-12-10-9-11-13-31)37(45)24-36(32)33-14-15-35-39(22-33)51(30-55-19-21-58(5,6)7)47-42(35)43-46-38-26-49(44(53)48-17-16-34(52)25-48)27-40(38)50(43)29-54-18-20-57(2,3)4;1-8-29-21-37(48-25-28-12-10-9-11-13-28)33(40)22-32(29)30-14-15-31-35(20-30)45(27-47-17-19-50(5,6)7)43-38(31)39-42-34-23-41-24-36(34)44(39)26-46-16-18-49(2,3)4;1-2-13-8-22(34)18(26)9-17(13)14-3-4-16-19(7-14)29-30-23(16)24-27-20-11-32(12-21(20)28-24)25(35)31-6-5-15(33)10-31/h9-15,22-24,34,52H,8,16-21,25-30H2,1-7H3;9-15,20-22,41H,8,16-19,23-27H2,1-7H3;3-4,7-9,15,33-34H,2,5-6,10-12H2,1H3,(H,27,28)(H,29,30)/t34-;;15-/m1.1/s1
• InChIKey: TURUDCKQJWVGPE-IBRQINIUSA-N
• XLogP: 21.58
• TPSA: 303.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.72
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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 [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The IUPAC name of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 163983977) is [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

What is the SMILES notation for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The canonical SMILES for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N3CC[C@@H](O)C3)C4)n[nH]c2c1.CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)N3CC[C@@H](O)C3)C4)nn(COCC[Si](C)(C)C)c2c1.CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

The InChIKey is TURUDCKQJWVGPE-IBRQINIUSA-N. The full InChI is InChI=1S/C44H59FN6O5Si2.C39H52FN5O3Si2.C25H25FN6O3/c1-8-32-23-41(56-28-31-12-10-9-11-13-31)37(45)24-36(32)33-14-15-35-39(22-33)51(30-55-19-21-58(5,6)7)47-42(35)43-46-38-26-49(44(53)48-17-16-34(52)25-48)27-40(38)50(43)29-54-18-20-57(2,3)4;1-8-29-21-37(48-25-28-12-10-9-11-13-28)33(40)22-32(29)30-14-15-31-35(20-30)45(27-47-17-19-50(5,6)7)43-38(31)39-42-34-23-41-24-36(34)44(39)26-46-16-18-49(2,3)4;1-2-13-8-22(34)18(26)9-17(13)14-3-4-16-19(7-14)29-30-23(16)24-27-20-11-32(12-21(20)28-24)25(35)31-6-5-15(33)10-31/h9-15,22-24,34,52H,8,16-21,25-30H2,1-7H3;9-15,20-22,41H,8,16-19,23-27H2,1-7H3;3-4,7-9,15,33-34H,2,5-6,10-12H2,1H3,(H,27,28)(H,29,30)/t34-;;15-/m1.1/s1.

What are the key properties of [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?

[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 2017.72 g/mol, XLogP of 21.58, 35 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone;2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;[2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 163983977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).