4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol

C12H14N4O2 — CID 162735464

IUPAC4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol
SMILESNc1ccnc2c1ncn2C1C(O)C(O)C2CC21
InChIInChI=1S/C12H14N4O2/c13-7-1-2-14-12-8(7)15-4-16(12)9-5-3-6(5)10(17)11(9)18/h1-2,4-6,9-11,17-18H,3H2,(H2,13,14)
InChIKeyLQZVGHOGSMOSID-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.07
Rot. Bonds1

About 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol

4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol (PubChem CID 162735464) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol.

Molecular Properties

Compound Name4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol
PubChem CID162735464
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol
SMILESNc1ccnc2c1ncn2C1C(O)C(O)C2CC21
InChIInChI=1S/C12H14N4O2/c13-7-1-2-14-12-8(7)15-4-16(12)9-5-3-6(5)10(17)11(9)18/h1-2,4-6,9-11,17-18H,3H2,(H2,13,14)
InChIKeyLQZVGHOGSMOSID-UHFFFAOYSA-N
XLogP-0.07
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 155736142
5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
CID 21344783
(1R,2R,3S,4R,5S)-4-[6-(dicyclopropylmethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 70677099
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
(1S,2R,3S,4R,5R)-4-[6-[(3-chlorophenyl)methylamino]purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 46844310
(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[(R)-(3,4-difluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122496881
2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
CID 13384766
(1R,2R,3S,4R,5S)-4-[5-chloro-7-(2,2-difluoroethylamino)-6-fluoroimidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 162735315
(1R,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopentylmethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 70676458
(1R,2R,3S,4R,5S)-4-[6-(methoxyamino)-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 70684947
(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol
CID 129128392
(1R,3R,4R,5S)-4-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol;(1R,3R,4R,5S)-4-(6-amino-2-methylpurin-9-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol;(1R,3R,4R,5S)-1-(hydroxymethyl)-4-[2-methyl-6-(methylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
CID 167541918

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol?
The IUPAC name of 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol (CID 162735464) is 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol.
What is the SMILES notation for 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol?
The canonical SMILES for 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol is Nc1ccnc2c1ncn2C1C(O)C(O)C2CC21.
What is the InChIKey of 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol?
The InChIKey is LQZVGHOGSMOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-7-1-2-14-12-8(7)15-4-16(12)9-5-3-6(5)10(17)11(9)18/h1-2,4-6,9-11,17-18H,3H2,(H2,13,14).
What are the key properties of 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol?
4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol has a molecular weight of 246.27 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminoimidazo[4,5-b]pyridin-3-yl)bicyclo[3.1.0]hexane-2,3-diol is sourced from PubChem (CID 162735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).