2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol

C11H13N7O3 — CID 21157929

IUPAC2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=NC1C(CO)OC(n2cnc3c(N)nccc32)C1O
InChIInChI=1S/C11H13N7O3/c12-10-7-5(1-2-14-10)18(4-15-7)11-9(20)8(16-17-13)6(3-19)21-11/h1-2,4,6,8-9,11,19-20H,3H2,(H2,12,14)
InChIKeyFLTBHNPQDQEMJX-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.06
Rot. Bonds3

About 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol

2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 21157929) has the molecular formula C11H13N7O3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
PubChem CID21157929
Molecular FormulaC11H13N7O3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=NC1C(CO)OC(n2cnc3c(N)nccc32)C1O
InChIInChI=1S/C11H13N7O3/c12-10-7-5(1-2-14-10)18(4-15-7)11-9(20)8(16-17-13)6(3-19)21-11/h1-2,4,6,8-9,11,19-20H,3H2,(H2,12,14)
InChIKeyFLTBHNPQDQEMJX-UHFFFAOYSA-N
XLogP-0.06
TPSA155.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 92852183
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 6482482
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 71209801
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
(2R,3S,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 14769087
(2R,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol;phosphoric acid
CID 21125637
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 131887632
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171428936
[5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
CID 175453397
(2R,3R,4R,5S)-4-azido-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 10832358
(2R,3S,4S,5R)-2-(4-aminobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 5273524
(2R,3R)-2-(4-aminotriazolo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21157911

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol (CID 21157929) is 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=NC1C(CO)OC(n2cnc3c(N)nccc32)C1O.
What is the InChIKey of 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is FLTBHNPQDQEMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O3/c12-10-7-5(1-2-14-10)18(4-15-7)11-9(20)8(16-17-13)6(3-19)21-11/h1-2,4,6,8-9,11,19-20H,3H2,(H2,12,14).
What are the key properties of 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol?
2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 291.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 21157929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).