[[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

C82H123FN12O40P4 — CID 158994412

About [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

[[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate (PubChem CID 158994412) has the molecular formula C82H123FN12O40P4 and a molecular weight of 2059.82 g/mol. Its IUPAC name is [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate.

Molecular Properties

• Compound Name: [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• PubChem CID: 158994412
• Molecular Formula: C82H123FN12O40P4
• Molecular Weight: 2059.82 g/mol
• Exact Mass: 2058.69
• IUPAC Name: [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
• SMILES: Cc1ncnn2c(CC(C)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(CC(CF)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(CCOCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(COCCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12
• InChI: InChI=1S/C21H31FN3O10P.C21H32N3O10P.2C20H30N3O10P/c1-14(2)34-20(26)29-11-32-36(28,33-12-30-21(27)35-15(3)4)13-31-18(9-22)8-17-6-7-19-16(5)23-10-24-25(17)19;1-14(2)33-20(25)28-11-31-35(27,32-12-29-21(26)34-15(3)4)13-30-16(5)9-18-7-8-19-17(6)22-10-23-24(18)19;1-14(2)32-19(24)28-12-30-34(26,31-13-29-20(25)33-15(3)4)9-8-27-10-17-6-7-18-16(5)21-11-22-23(17)18;1-14(2)32-19(24)28-11-30-34(26,31-12-29-20(25)33-15(3)4)13-27-9-8-17-6-7-18-16(5)21-10-22-23(17)18/h6-7,10,14-15,18H,8-9,11-13H2,1-5H3;7-8,10,14-16H,9,11-13H2,1-6H3;6-7,11,14-15H,8-10,12-13H2,1-5H3;6-7,10,14-15H,8-9,11-13H2,1-5H3
• InChIKey: JQOHKUMLUGABBE-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 584.04 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 53
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.82
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The IUPAC name of [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate (CID 158994412) is [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate.

What is the SMILES notation for [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The canonical SMILES for [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate is Cc1ncnn2c(CC(C)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(CC(CF)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(CCOCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.Cc1ncnn2c(COCCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)ccc12.

What is the InChIKey of [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

The InChIKey is JQOHKUMLUGABBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN3O10P.C21H32N3O10P.2C20H30N3O10P/c1-14(2)34-20(26)29-11-32-36(28,33-12-30-21(27)35-15(3)4)13-31-18(9-22)8-17-6-7-19-16(5)23-10-24-25(17)19;1-14(2)33-20(25)28-11-31-35(27,32-12-29-21(26)34-15(3)4)13-30-16(5)9-18-7-8-19-17(6)22-10-23-24(18)19;1-14(2)32-19(24)28-12-30-34(26,31-13-29-20(25)33-15(3)4)9-8-27-10-17-6-7-18-16(5)21-11-22-23(17)18;1-14(2)32-19(24)28-11-30-34(26,31-12-29-20(25)33-15(3)4)13-27-9-8-17-6-7-18-16(5)21-10-22-23(17)18/h6-7,10,14-15,18H,8-9,11-13H2,1-5H3;7-8,10,14-16H,9,11-13H2,1-6H3;6-7,11,14-15H,8-10,12-13H2,1-5H3;6-7,10,14-15H,8-9,11-13H2,1-5H3.

What are the key properties of [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate?

[[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate has a molecular weight of 2059.82 g/mol, XLogP of 16.00, 53 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [[1-fluoro-3-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)ethoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[2-[(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)methoxy]ethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[1-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-2-yloxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate is sourced from PubChem (CID 158994412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).