[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate

C14H13ClN4O3 — CID 173079139

IUPAC[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC[C@H](n2cc(C#N)c3c(Cl)ncnc32)O1
InChIInChI=1S/C14H13ClN4O3/c1-8(20)21-6-10-2-3-11(22-10)19-5-9(4-16)12-13(15)17-7-18-14(12)19/h5,7,10-11H,2-3,6H2,1H3/t10?,11-/m1/s1
InChIKeyQAGJSUMTQGRQLG-RRKGBCIJSA-N
MW320.74 g/mol
LogP2.20
Rot. Bonds3

About [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate

[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate (PubChem CID 173079139) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate
PubChem CID173079139
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC[C@H](n2cc(C#N)c3c(Cl)ncnc32)O1
InChIInChI=1S/C14H13ClN4O3/c1-8(20)21-6-10-2-3-11(22-10)19-5-9(4-16)12-13(15)17-7-18-14(12)19/h5,7,10-11H,2-3,6H2,1H3/t10?,11-/m1/s1
InChIKeyQAGJSUMTQGRQLG-RRKGBCIJSA-N
XLogP2.20
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate 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

[(5R)-5-[5-cyano-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methyl acetate
CID 173079242
[3-butoxy-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-methoxyoxolan-2-yl]methyl acetate
CID 91131378
[(2S,5R)-5-(6-isocyanatopurin-9-yl)oxolan-2-yl]methyl acetate
CID 155062707
tert-butyl-[[5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy]-dimethyl-λ4-sulfane;propane-2,2-diol
CID 145263622
4-chloro-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 21140106
5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carbaldehyde
CID 145365126
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 135565968
[(4R,5R)-3,4-diacetyloxy-5-[5-cyano-4-(prop-2-ynylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methyl acetate
CID 86647759
[5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 142559953
[(2R,3R,4R)-5-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-3-(2-deuterioacetyl)oxy-4-methoxyoxolan-2-yl]methyl 2-deuterioacetate
CID 141246335
7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 144719786
[(2S)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 70667580

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate (CID 173079139) is [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate is CC(=O)OCC1CC[C@H](n2cc(C#N)c3c(Cl)ncnc32)O1.
What is the InChIKey of [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate?
The InChIKey is QAGJSUMTQGRQLG-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-8(20)21-6-10-2-3-11(22-10)19-5-9(4-16)12-13(15)17-7-18-14(12)19/h5,7,10-11H,2-3,6H2,1H3/t10?,11-/m1/s1.
What are the key properties of [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate?
[(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate has a molecular weight of 320.74 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(4-chloro-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 173079139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).