propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C24H31FN5O7P — CID 166015809

About propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 166015809) has the molecular formula C24H31FN5O7P and a molecular weight of 551.51 g/mol. Its IUPAC name is propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• PubChem CID: 166015809
• Molecular Formula: C24H31FN5O7P
• Molecular Weight: 551.51 g/mol
• Exact Mass: 551.19
• IUPAC Name: propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• SMILES: Cc1nc2nccnc2n1[C@@H]1O[C@H](CO[P@@](=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F
• InChI: InChI=1S/C24H31FN5O7P/c1-14(2)35-22(32)15(3)29-38(33,37-17-9-7-6-8-10-17)34-13-18-19(31)24(5,25)23(36-18)30-16(4)28-20-21(30)27-12-11-26-20/h6-12,14-15,18-19,23,31H,13H2,1-5H3,(H,29,33)/t15?,18-,19-,23-,24-,38+/m1/s1
• InChIKey: IYOYCTJXFGOCQF-ILXBEOJPSA-N
• XLogP: 3.25
• TPSA: 146.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.51
LogP ≤ 5	3.25
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-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The IUPAC name of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 166015809) is propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

What is the SMILES notation for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The canonical SMILES for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is Cc1nc2nccnc2n1[C@@H]1O[C@H](CO[P@@](=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.

What is the InChIKey of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The InChIKey is IYOYCTJXFGOCQF-ILXBEOJPSA-N. The full InChI is InChI=1S/C24H31FN5O7P/c1-14(2)35-22(32)15(3)29-38(33,37-17-9-7-6-8-10-17)34-13-18-19(31)24(5,25)23(36-18)30-16(4)28-20-21(30)27-12-11-26-20/h6-12,14-15,18-19,23,31H,13H2,1-5H3,(H,29,33)/t15?,18-,19-,23-,24-,38+/m1/s1.

What are the key properties of propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 551.51 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-4-methyl-5-(2-methylimidazo[4,5-b]pyrazin-3-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 166015809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).