ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C24H30FN4O7P — CID 58069406

IUPACethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@](C)(c2ccc3c(N)ccnn23)[C@H](F)[C@@H]1O)Oc1ccccc1
InChIInChI=1S/C24H30FN4O7P/c1-4-33-23(31)15(2)28-37(32,36-16-8-6-5-7-9-16)34-14-19-21(30)22(25)24(3,35-19)20-11-10-18-17(26)12-13-27-29(18)20/h5-13,15,19,21-22,30H,4,14,26H2,1-3H3,(H,28,32)/t15-,19-,21-,22-,24+,37?/m1/s1
InChIKeyITVATRGTVVJIGW-PCGGUIEYSA-N
MW536.50 g/mol
LogP2.97
Rot. Bonds10

About ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 58069406) has the molecular formula C24H30FN4O7P and a molecular weight of 536.50 g/mol. Its IUPAC name is ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID58069406
Molecular FormulaC24H30FN4O7P
Molecular Weight536.50 g/mol
Exact Mass536.18
IUPAC Nameethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@](C)(c2ccc3c(N)ccnn23)[C@H](F)[C@@H]1O)Oc1ccccc1
InChIInChI=1S/C24H30FN4O7P/c1-4-33-23(31)15(2)28-37(32,36-16-8-6-5-7-9-16)34-14-19-21(30)22(25)24(3,35-19)20-11-10-18-17(26)12-13-27-29(18)20/h5-13,15,19,21-22,30H,4,14,26H2,1-3H3,(H,28,32)/t15-,19-,21-,22-,24+,37?/m1/s1
InChIKeyITVATRGTVVJIGW-PCGGUIEYSA-N
XLogP2.97
TPSA146.64 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.50
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 58069406) is ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CCOC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@](C)(c2ccc3c(N)ccnn23)[C@H](F)[C@@H]1O)Oc1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is ITVATRGTVVJIGW-PCGGUIEYSA-N. The full InChI is InChI=1S/C24H30FN4O7P/c1-4-33-23(31)15(2)28-37(32,36-16-8-6-5-7-9-16)34-14-19-21(30)22(25)24(3,35-19)20-11-10-18-17(26)12-13-27-29(18)20/h5-13,15,19,21-22,30H,4,14,26H2,1-3H3,(H,28,32)/t15-,19-,21-,22-,24+,37?/m1/s1.
What are the key properties of ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 536.50 g/mol, XLogP of 2.97, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[[(2R,3R,4R,5S)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-4-fluoro-3-hydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 58069406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).