(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol

C15H22FN4O2P — CID 129128392

IUPAC(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol
SMILESC=P(C)(C)CCC1OC(n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C15H22FN4O2P/c1-23(2,3)7-5-10-13(21)11(16)15(22-10)20-8-19-12-9(17)4-6-18-14(12)20/h4,6,8,10-11,13,15,21H,1,5,7H2,2-3H3,(H2,17,18)/t10?,11-,13-,15?/m1/s1
InChIKeyDDILAMOYKICXTD-GDQVSHSTSA-N
MW340.34 g/mol
LogP1.71
Rot. Bonds4

About (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol

(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol (PubChem CID 129128392) has the molecular formula C15H22FN4O2P and a molecular weight of 340.34 g/mol. Its IUPAC name is (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol.

Molecular Properties

Compound Name(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol
PubChem CID129128392
Molecular FormulaC15H22FN4O2P
Molecular Weight340.34 g/mol
Exact Mass340.15
IUPAC Name(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol
SMILESC=P(C)(C)CCC1OC(n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C15H22FN4O2P/c1-23(2,3)7-5-10-13(21)11(16)15(22-10)20-8-19-12-9(17)4-6-18-14(12)20/h4,6,8,10-11,13,15,21H,1,5,7H2,2-3H3,(H2,17,18)/t10?,11-,13-,15?/m1/s1
InChIKeyDDILAMOYKICXTD-GDQVSHSTSA-N
XLogP1.71
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(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
(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-bromo-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-4-chloro-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolan-3-ol;(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol;(2R,3R,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-iodooxolan-3-ol;(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol
CID 159203379
2-amino-9-[(2R,3R,4R,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3-fluoro-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 136643135
(2R,3S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
CID 90321702
2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
CID 13384766
(2R,3R,4S)-2-(7-amino-2-butylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 90276001
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-imidazol-1-ylphosphinic acid
CID 58159419
(2R,3R,4R)-5-(6-amino-2-ethylpurin-9-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methoxyoxolan-3-ol
CID 159260197
5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-ethyloxolan-3-ol
CID 21344783
(2R,3R,4S,5R)-5-(2-amino-6-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 137482466
(2R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 59503907

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol?
The IUPAC name of (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol (CID 129128392) is (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol.
What is the SMILES notation for (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol?
The canonical SMILES for (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol is C=P(C)(C)CCC1OC(n2cnc3c(N)ccnc32)[C@H](F)[C@@H]1O.
What is the InChIKey of (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol?
The InChIKey is DDILAMOYKICXTD-GDQVSHSTSA-N. The full InChI is InChI=1S/C15H22FN4O2P/c1-23(2,3)7-5-10-13(21)11(16)15(22-10)20-8-19-12-9(17)4-6-18-14(12)20/h4,6,8,10-11,13,15,21H,1,5,7H2,2-3H3,(H2,17,18)/t10?,11-,13-,15?/m1/s1.
What are the key properties of (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol?
(3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol has a molecular weight of 340.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-fluorooxolan-3-ol is sourced from PubChem (CID 129128392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).