[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate

C15H18FIN4O5 — CID 163206353

IUPAC[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@H]1[C@H](F)[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C15H18FIN4O5/c1-6(2)24-15(23)26-11-8(4-22)25-14(10(11)16)21-3-7(17)9-12(18)19-5-20-13(9)21/h3,5-6,8,10-11,14,22H,4H2,1-2H3,(H2,18,19,20)/t8-,10+,11-,14-/m1/s1
InChIKeyCHWOGILEALNUBX-JMLLCIOISA-N
MW480.23 g/mol
LogP1.78
Rot. Bonds4

About [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate

[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate (PubChem CID 163206353) has the molecular formula C15H18FIN4O5 and a molecular weight of 480.23 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
PubChem CID163206353
Molecular FormulaC15H18FIN4O5
Molecular Weight480.23 g/mol
Exact Mass480.03
IUPAC Name[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate
SMILESCC(C)OC(=O)O[C@H]1[C@H](F)[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C15H18FIN4O5/c1-6(2)24-15(23)26-11-8(4-22)25-14(10(11)16)21-3-7(17)9-12(18)19-5-20-13(9)21/h3,5-6,8,10-11,14,22H,4H2,1-2H3,(H2,18,19,20)/t8-,10+,11-,14-/m1/s1
InChIKeyCHWOGILEALNUBX-JMLLCIOISA-N
XLogP1.78
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] ethylsulfanylformate
CID 155745130
[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 164929801
propan-2-yl N-[7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrrolo[2,3-d]pyrimidin-4-yl]carbamate
CID 155745132
[(2R,3S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 164929802
4-amino-7-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 512291
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
(2S,3R,4S,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol
CID 53252934
(2R,3R,4S,5S)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(aminomethyl)oxolane-3,4-diol
CID 10949191
(2R,3R,4S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 155745123
(2R,3R,4R,5R)-5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 86573713
(2R,5R)-2-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 70837581
(2R,3R,4S,5R)-5-(2,4-diamino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 11223569

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The IUPAC name of [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate (CID 163206353) is [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate.
What is the SMILES notation for [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The canonical SMILES for [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate is CC(C)OC(=O)O[C@H]1[C@H](F)[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
The InChIKey is CHWOGILEALNUBX-JMLLCIOISA-N. The full InChI is InChI=1S/C15H18FIN4O5/c1-6(2)24-15(23)26-11-8(4-22)25-14(10(11)16)21-3-7(17)9-12(18)19-5-20-13(9)21/h3,5-6,8,10-11,14,22H,4H2,1-2H3,(H2,18,19,20)/t8-,10+,11-,14-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate?
[(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate has a molecular weight of 480.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 163206353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).