3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine

C13H19N5O2 — CID 161092667

IUPAC3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESCN[C@H]1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1COC
InChIInChI=1S/C13H19N5O2/c1-15-9-5-11(20-10(9)6-19-2)18-7-17-12-8(14)3-4-16-13(12)18/h3-4,7,9-11,15H,5-6H2,1-2H3,(H2,14,16)/t9-,10+,11+/m0/s1
InChIKeyARYNLXFLJBNYPK-HBNTYKKESA-N
MW277.33 g/mol
LogP0.54
Rot. Bonds4

About 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine

3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine (PubChem CID 161092667) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
PubChem CID161092667
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
SMILESCN[C@H]1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1COC
InChIInChI=1S/C13H19N5O2/c1-15-9-5-11(20-10(9)6-19-2)18-7-17-12-8(14)3-4-16-13(12)18/h3-4,7,9-11,15H,5-6H2,1-2H3,(H2,14,16)/t9-,10+,11+/m0/s1
InChIKeyARYNLXFLJBNYPK-HBNTYKKESA-N
XLogP0.54
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
CID 21344783
3-[6-(methoxymethyl)-4-methylmorpholin-2-yl]imidazo[4,5-b]pyridin-7-amine;9-[(2R,5R)-5-(methoxymethyl)-4-methylsulfanyloxolan-2-yl]purin-6-amine;3-[(2R,5S)-4-methoxy-5-(methylsulfanylmethyl)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
CID 160733201
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 137104151
(2R,3S,5R)-5-[4-amino-3-[2-(methylamino)cyclobutyl]pyrazolo[3,4-d]pyrimidin-1-yl]-2-(methoxymethyl)oxolan-3-ol
CID 59098868
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 135990398
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 136630273
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 135990397
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
[(2R,3R,5R)-5-(6-chloropurin-9-yl)-2-(methoxymethyl)oxolan-3-yl] acetate
CID 91374069
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl methyl hydrogen phosphate
CID 54550870

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine (CID 161092667) is 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine is CN[C@H]1C[C@H](n2cnc3c(N)ccnc32)O[C@@H]1COC.
What is the InChIKey of 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
The InChIKey is ARYNLXFLJBNYPK-HBNTYKKESA-N. The full InChI is InChI=1S/C13H19N5O2/c1-15-9-5-11(20-10(9)6-19-2)18-7-17-12-8(14)3-4-16-13(12)18/h3-4,7,9-11,15H,5-6H2,1-2H3,(H2,14,16)/t9-,10+,11+/m0/s1.
What are the key properties of 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine?
3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine has a molecular weight of 277.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 161092667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).