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

C11H14N4O3 — CID 512705

IUPAC(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1nccc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C11H14N4O3/c12-10-9-7(1-2-13-10)15(5-14-9)11-8(17)3-6(4-16)18-11/h1-2,5-6,8,11,16-17H,3-4H2,(H2,12,13)/t6-,8+,11+/m0/s1
InChIKeySAYFLCXAECXFQL-FMTFEUNWSA-N
MW250.26 g/mol
LogP-0.35
Rot. Bonds2

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

(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 512705) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID512705
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1nccc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C11H14N4O3/c12-10-9-7(1-2-13-10)15(5-14-9)11-8(17)3-6(4-16)18-11/h1-2,5-6,8,11,16-17H,3-4H2,(H2,12,13)/t6-,8+,11+/m0/s1
InChIKeySAYFLCXAECXFQL-FMTFEUNWSA-N
XLogP-0.35
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
[5-(4-aminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 14630171
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 21157929
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;diphosphono hydrogen phosphate
CID 174741919
(2R,3R,5S)-2-[6-amino-2-(chloromethoxy)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 67669536
(2R,5S)-2-[6-amino-2-[(E)-2-bromoethenyl]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 171428870
(2S,3R,5S)-2-(4,7-difluoroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 102573581
(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol
CID 70902335
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 512705) is (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SAYFLCXAECXFQL-FMTFEUNWSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10-9-7(1-2-13-10)15(5-14-9)11-8(17)3-6(4-16)18-11/h1-2,5-6,8,11,16-17H,3-4H2,(H2,12,13)/t6-,8+,11+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 250.26 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 512705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).