(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H12N6O3 — CID 15217056

IUPAC(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=Nc1nccc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H12N6O3/c12-16-15-11-10-6(1-2-13-11)17(5-14-10)9-3-7(19)8(4-18)20-9/h1-2,5,7-9,18-19H,3-4H2/t7-,8+,9+/m0/s1
InChIKeyJWLAIVKYAVXDES-DJLDLDEBSA-N
MW276.26 g/mol
LogP1.01
Rot. Bonds3

About (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 15217056) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID15217056
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=Nc1nccc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H12N6O3/c12-16-15-11-10-6(1-2-13-11)17(5-14-10)9-3-7(19)8(4-18)20-9/h1-2,5,7-9,18-19H,3-4H2/t7-,8+,9+/m0/s1
InChIKeyJWLAIVKYAVXDES-DJLDLDEBSA-N
XLogP1.01
TPSA129.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 510979
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitrobenzimidazol-1-yl)oxolan-3-ol
CID 14464884
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylbenzimidazol-5-ol
CID 71099696
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59964783
(3S,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21120311
2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 21157929
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
(2R,3S,5S)-5-(2-aminopurin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 102301563

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 15217056) is (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=Nc1nccc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is JWLAIVKYAVXDES-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-16-15-11-10-6(1-2-13-11)17(5-14-10)9-3-7(19)8(4-18)20-9/h1-2,5,7-9,18-19H,3-4H2/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 276.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(4-azidoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 15217056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).