[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol

C12H14N6O2 — CID 54503487

IUPAC[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol
SMILES[N-]=[N+]=NC1C[C@@H](n2ccc3c(N)ccnc32)O[C@@H]1CO
InChIInChI=1S/C12H14N6O2/c13-8-1-3-15-12-7(8)2-4-18(12)11-5-9(16-17-14)10(6-19)20-11/h1-4,9-11,19H,5-6H2,(H2,13,15)/t9?,10-,11+/m1/s1
InChIKeyYEBTXTOORPXTCG-ZOCYIJKUSA-N
MW274.28 g/mol
LogP1.58
Rot. Bonds3

About [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol

[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol (PubChem CID 54503487) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol
PubChem CID54503487
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol
SMILES[N-]=[N+]=NC1C[C@@H](n2ccc3c(N)ccnc32)O[C@@H]1CO
InChIInChI=1S/C12H14N6O2/c13-8-1-3-15-12-7(8)2-4-18(12)11-5-9(16-17-14)10(6-19)20-11/h1-4,9-11,19H,5-6H2,(H2,13,15)/t9?,10-,11+/m1/s1
InChIKeyYEBTXTOORPXTCG-ZOCYIJKUSA-N
XLogP1.58
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135433653
2-amino-9-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135602118
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2-methylsulfanylpyrimidin-4-one
CID 10517080
1-[(2S,4R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyridin-2-one
CID 140535435
[5-[2-amino-6-(dimethylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875293
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
4-amino-1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 26433555
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 14351976
[5-[2-amino-6-(propylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
CID 19875305
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol (CID 54503487) is [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol is [N-]=[N+]=NC1C[C@@H](n2ccc3c(N)ccnc32)O[C@@H]1CO.
What is the InChIKey of [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol?
The InChIKey is YEBTXTOORPXTCG-ZOCYIJKUSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-8-1-3-15-12-7(8)2-4-18(12)11-5-9(16-17-14)10(6-19)20-11/h1-4,9-11,19H,5-6H2,(H2,13,15)/t9?,10-,11+/m1/s1.
What are the key properties of [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol?
[(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol has a molecular weight of 274.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(4-aminopyrrolo[2,3-b]pyridin-1-yl)-3-azidooxolan-2-yl]methanol is sourced from PubChem (CID 54503487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).