[7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate

C35H55N5O9Si2 — CID 174094584

About [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate

[7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate (PubChem CID 174094584) has the molecular formula C35H55N5O9Si2 and a molecular weight of 746.02 g/mol. Its IUPAC name is [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate
• PubChem CID: 174094584
• Molecular Formula: C35H55N5O9Si2
• Molecular Weight: 746.02 g/mol
• Exact Mass: 745.35
• IUPAC Name: [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)C(C)(C)C4CCCCC4)C(O[Si](C)(C)C)C3O[Si](C)(C)C)ccc12
• InChI: InChI=1S/C35H55N5O9Si2/c1-33(2,3)30(41)45-22-46-32(43)39-29-24-17-18-26(40(24)38-21-37-29)35(20-36)28(49-51(9,10)11)27(48-50(6,7)8)25(47-35)19-44-31(42)34(4,5)23-15-13-12-14-16-23/h17-18,21,23,25,27-28H,12-16,19,22H2,1-11H3,(H,37,38,39,43)/t25-,27?,28?,35+/m1/s1
• InChIKey: WZBPHYHVNZYGHB-KVLROQCKSA-N
• XLogP: 6.53
• TPSA: 172.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	746.02
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate?

The IUPAC name of [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate (CID 174094584) is [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate.

What is the SMILES notation for [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate?

The canonical SMILES for [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](COC(=O)C(C)(C)C4CCCCC4)C(O[Si](C)(C)C)C3O[Si](C)(C)C)ccc12.

What is the InChIKey of [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate?

The InChIKey is WZBPHYHVNZYGHB-KVLROQCKSA-N. The full InChI is InChI=1S/C35H55N5O9Si2/c1-33(2,3)30(41)45-22-46-32(43)39-29-24-17-18-26(40(24)38-21-37-29)35(20-36)28(49-51(9,10)11)27(48-50(6,7)8)25(47-35)19-44-31(42)34(4,5)23-15-13-12-14-16-23/h17-18,21,23,25,27-28H,12-16,19,22H2,1-11H3,(H,37,38,39,43)/t25-,27?,28?,35+/m1/s1.

What are the key properties of [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate?

[7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 746.02 g/mol, XLogP of 6.53, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(2R,5R)-2-cyano-5-[(2-cyclohexyl-2-methylpropanoyl)oxymethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]carbamoyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174094584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).