(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide

C59H78F2N10O4Si2 — CID 157059946

About (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide

(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide (PubChem CID 157059946) has the molecular formula C59H78F2N10O4Si2 and a molecular weight of 1085.51 g/mol. Its IUPAC name is (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide.

Molecular Properties

• Compound Name: (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide
• PubChem CID: 157059946
• Molecular Formula: C59H78F2N10O4Si2
• Molecular Weight: 1085.51 g/mol
• Exact Mass: 1084.57
• IUPAC Name: (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide
• SMILES: CN(C(=O)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO[Si](C)(C)C(C)(C)C)C1)c1cnn(C)c1.Cn1cc(NC(=O)[C@H]2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CO[Si](C)(C)C(C)(C)C)C2)cn1
• InChI: InChI=1S/C30H40FN5O2Si.C29H38FN5O2Si/c1-29(2,3)39(6,7)38-20-30-15-21(28(37)35(5)26-18-32-34(4)19-26)8-9-23(30)14-27-22(16-30)17-33-36(27)25-12-10-24(31)11-13-25;1-28(2,3)38(5,6)37-19-29-14-20(27(36)33-24-17-31-34(4)18-24)7-8-22(29)13-26-21(15-29)16-32-35(26)25-11-9-23(30)10-12-25/h10-14,17-19,21H,8-9,15-16,20H2,1-7H3;9-13,16-18,20H,7-8,14-15,19H2,1-6H3,(H,33,36)/t21-,30-;20-,29-/m00/s1
• InChIKey: ABFGTAFZLMCZRK-UHVJLIFLSA-N
• XLogP: 12.29
• TPSA: 139.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.51
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide?

The IUPAC name of (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide (CID 157059946) is (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide.

What is the SMILES notation for (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide?

The canonical SMILES for (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide is CN(C(=O)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO[Si](C)(C)C(C)(C)C)C1)c1cnn(C)c1.Cn1cc(NC(=O)[C@H]2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(CO[Si](C)(C)C(C)(C)C)C2)cn1.

What is the InChIKey of (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide?

The InChIKey is ABFGTAFZLMCZRK-UHVJLIFLSA-N. The full InChI is InChI=1S/C30H40FN5O2Si.C29H38FN5O2Si/c1-29(2,3)39(6,7)38-20-30-15-21(28(37)35(5)26-18-32-34(4)19-26)8-9-23(30)14-27-22(16-30)17-33-36(27)25-12-10-24(31)11-13-25;1-28(2,3)38(5,6)37-19-29-14-20(27(36)33-24-17-31-34(4)18-24)7-8-22(29)13-26-21(15-29)16-32-35(26)25-11-9-23(30)10-12-25/h10-14,17-19,21H,8-9,15-16,20H2,1-7H3;9-13,16-18,20H,7-8,14-15,19H2,1-6H3,(H,33,36)/t21-,30-;20-,29-/m00/s1.

What are the key properties of (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide?

(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide has a molecular weight of 1085.51 g/mol, XLogP of 12.29, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-methyl-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide;(4aR,6S)-4a-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-fluorophenyl)-N-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-4H-benzo[f]indazole-6-carboxamide is sourced from PubChem (CID 157059946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).