(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C13H19N5O4 — CID 15086922

IUPAC(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN(C)c1cc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C13H19N5O4/c1-17(2)8-3-6(14)9-12(16-8)18(5-15-9)13-11(21)10(20)7(4-19)22-13/h3,5,7,10-11,13,19-21H,4H2,1-2H3,(H2,14,16)/t7-,10-,11-,13-/m1/s1
InChIKeyCHKWKWACJNTPPC-GDECHXLSSA-N
MW309.33 g/mol
LogP-1.31
Rot. Bonds3

About (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 15086922) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID15086922
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN(C)c1cc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C13H19N5O4/c1-17(2)8-3-6(14)9-12(16-8)18(5-15-9)13-11(21)10(20)7(4-19)22-13/h3,5,7,10-11,13,19-21H,4H2,1-2H3,(H2,14,16)/t7-,10-,11-,13-/m1/s1
InChIKeyCHKWKWACJNTPPC-GDECHXLSSA-N
XLogP-1.31
TPSA129.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
2-[6-(dimethylamino)-2-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 162889192
(2R,3R,4S,5R)-2-[2-(dimethylamino)-6-methylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 70539437
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241
(3R,4S,5R)-2-[6-amino-2-(2-propan-2-ylidenehydrazinyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876626
bis(2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purine-6-selenolate);platinum(2+)
CID 11970192
(2R,3R,4S,5R)-2-[2-amino-6-(hydroxymethyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11702106
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
CID 59801633
6-amino-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purine-2-thione
CID 57162002
9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-1H-purin-6-one
CID 135976831

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 15086922) is (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CN(C)c1cc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.
What is the InChIKey of (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is CHKWKWACJNTPPC-GDECHXLSSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-17(2)8-3-6(14)9-12(16-8)18(5-15-9)13-11(21)10(20)7(4-19)22-13/h3,5,7,10-11,13,19-21H,4H2,1-2H3,(H2,14,16)/t7-,10-,11-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 309.33 g/mol, XLogP of -1.31, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[7-amino-5-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 15086922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).