[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium

C12H16N7O3+ — CID 158228192

IUPAC[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium
SMILESC[C@@H]1[C@H](n2cnc3c(N)ccnc32)O[C@@](CO)(N=[N+]=N)[C@H]1O
InChIInChI=1S/C12H16N7O3/c1-6-9(21)12(4-20,17-18-14)22-11(6)19-5-16-8-7(13)2-3-15-10(8)19/h2-3,5-6,9,11,14,20-21H,4H2,1H3,(H2,13,15)/q+1/t6-,9-,11+,12+/m0/s1
InChIKeySWUICJHNNHNNGV-KIUQNAOPSA-N
MW306.31 g/mol
LogP-0.22
Rot. Bonds3

About [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium

[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium (PubChem CID 158228192) has the molecular formula C12H16N7O3+ and a molecular weight of 306.31 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium
PubChem CID158228192
Molecular FormulaC12H16N7O3+
Molecular Weight306.31 g/mol
Exact Mass306.13
IUPAC Name[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium
SMILESC[C@@H]1[C@H](n2cnc3c(N)ccnc32)O[C@@](CO)(N=[N+]=N)[C@H]1O
InChIInChI=1S/C12H16N7O3/c1-6-9(21)12(4-20,17-18-14)22-11(6)19-5-16-8-7(13)2-3-15-10(8)19/h2-3,5-6,9,11,14,20-21H,4H2,1H3,(H2,13,15)/q+1/t6-,9-,11+,12+/m0/s1
InChIKeySWUICJHNNHNNGV-KIUQNAOPSA-N
XLogP-0.22
TPSA156.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium with MolForge

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Related Compounds

9-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 135911972
[(2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]imino-iminoazanium
CID 147852149
(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-ethenyl-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol
CID 129212153
(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-2-azido-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 91062063
(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 121485697
(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethynyl-2-(hydroxymethyl)-4-(trifluoromethyl)oxolan-3-ol
CID 129212163
4-amino-1-[(2R,3R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59989916
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
(2R,3S,4R,5R)-2-azido-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 23519643
4-amino-1-[(2R,3S,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 71503374
9-[(2R,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136649956
(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol
CID 129128394

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium?
The IUPAC name of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium (CID 158228192) is [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium.
What is the SMILES notation for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium?
The canonical SMILES for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium is C[C@@H]1[C@H](n2cnc3c(N)ccnc32)O[C@@](CO)(N=[N+]=N)[C@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium?
The InChIKey is SWUICJHNNHNNGV-KIUQNAOPSA-N. The full InChI is InChI=1S/C12H16N7O3/c1-6-9(21)12(4-20,17-18-14)22-11(6)19-5-16-8-7(13)2-3-15-10(8)19/h2-3,5-6,9,11,14,20-21H,4H2,1H3,(H2,13,15)/q+1/t6-,9-,11+,12+/m0/s1.
What are the key properties of [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium?
[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium has a molecular weight of 306.31 g/mol, XLogP of -0.22, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolan-2-yl]imino-iminoazanium is sourced from PubChem (CID 158228192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).