propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

C19H24FN6O6P — CID 75604710

About propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate

propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate (PubChem CID 75604710) has the molecular formula C19H24FN6O6P and a molecular weight of 482.41 g/mol. Its IUPAC name is propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate
• PubChem CID: 75604710
• Molecular Formula: C19H24FN6O6P
• Molecular Weight: 482.41 g/mol
• Exact Mass: 482.15
• IUPAC Name: propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate
• SMILES: CC(C)OC(=O)C(C)NP1(=O)OCC2OC(C#N)(c3ccc4c(N)ncnn34)C(C)(F)C2O1
• InChI: InChI=1S/C19H24FN6O6P/c1-10(2)30-17(27)11(3)25-33(28)29-7-13-15(32-33)18(4,20)19(8-21,31-13)14-6-5-12-16(22)23-9-24-26(12)14/h5-6,9-11,13,15H,7H2,1-4H3,(H,25,28)(H2,22,23,24)
• InChIKey: AENSHNRNBKEIJK-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 163.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.41
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The IUPAC name of propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate (CID 75604710) is propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate.

What is the SMILES notation for propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The canonical SMILES for propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate is CC(C)OC(=O)C(C)NP1(=O)OCC2OC(C#N)(c3ccc4c(N)ncnn34)C(C)(F)C2O1.

What is the InChIKey of propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

The InChIKey is AENSHNRNBKEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN6O6P/c1-10(2)30-17(27)11(3)25-33(28)29-7-13-15(32-33)18(4,20)19(8-21,31-13)14-6-5-12-16(22)23-9-24-26(12)14/h5-6,9-11,13,15H,7H2,1-4H3,(H,25,28)(H2,22,23,24).

What are the key properties of propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate?

propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate has a molecular weight of 482.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[6-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-cyano-7-fluoro-7-methyl-2-oxo-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]amino]propanoate is sourced from PubChem (CID 75604710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).