5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol

C12H16N4O2 — CID 21344783

IUPAC5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
SMILESCCC1OC(n2cnc3c(N)ccnc32)CC1O
InChIInChI=1S/C12H16N4O2/c1-2-9-8(17)5-10(18-9)16-6-15-11-7(13)3-4-14-12(11)16/h3-4,6,8-10,17H,2,5H2,1H3,(H2,13,14)
InChIKeyTYZCIEOPHRZMLU-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.07
Rot. Bonds2

About 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol

5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol (PubChem CID 21344783) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol.

Molecular Properties

Compound Name5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
PubChem CID21344783
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
SMILESCCC1OC(n2cnc3c(N)ccnc32)CC1O
InChIInChI=1S/C12H16N4O2/c1-2-9-8(17)5-10(18-9)16-6-15-11-7(13)3-4-14-12(11)16/h3-4,6,8-10,17H,2,5H2,1H3,(H2,13,14)
InChIKeyTYZCIEOPHRZMLU-UHFFFAOYSA-N
XLogP1.07
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylamino)oxolan-2-yl]imidazo[4,5-b]pyridin-7-amine
CID 161092667
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
CID 58159383
4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol
CID 162735464
(2R,3S,5R)-5-(4-aminoimidazo[4,5-d]triazin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10933976
2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
CID 13384766
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693

Frequently Asked Questions

What is the IUPAC name of 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol?
The IUPAC name of 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol (CID 21344783) is 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol.
What is the SMILES notation for 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol?
The canonical SMILES for 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol is CCC1OC(n2cnc3c(N)ccnc32)CC1O.
What is the InChIKey of 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol?
The InChIKey is TYZCIEOPHRZMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-9-8(17)5-10(18-9)16-6-15-11-7(13)3-4-14-12(11)16/h3-4,6,8-10,17H,2,5H2,1H3,(H2,13,14).
What are the key properties of 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol?
5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol has a molecular weight of 248.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol is sourced from PubChem (CID 21344783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).