(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

C26H23N7O3 — CID 23584681

IUPAC(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C26H23N7O3/c27-24-23-26(30-14-29-24)33(22-12-20(35)21(13-34)36-22)25(32-23)16-9-7-15(8-10-16)17-5-3-6-19(31-17)18-4-1-2-11-28-18/h1-11,14,20-22,34-35H,12-13H2,(H2,27,29,30)/t20-,21+,22+/m0/s1
InChIKeyAPDNZTMFBZPUHV-BHDDXSALSA-N
MW481.52 g/mol
LogP2.84
Rot. Bonds5

About (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 23584681) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID23584681
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C26H23N7O3/c27-24-23-26(30-14-29-24)33(22-12-20(35)21(13-34)36-22)25(32-23)16-9-7-15(8-10-16)17-5-3-6-19(31-17)18-4-1-2-11-28-18/h1-11,14,20-22,34-35H,12-13H2,(H2,27,29,30)/t20-,21+,22+/m0/s1
InChIKeyAPDNZTMFBZPUHV-BHDDXSALSA-N
XLogP2.84
TPSA145.09 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3S,5R)-5-[6-amino-8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584459
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 23584339
(2R,3S,5R)-5-[4-amino-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 25034080
(2R,3S,5R)-5-[6-amino-8-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584457
1-[4-[4-[6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]phenyl]phenyl]ethanone
CID 139184636
(2R,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 42531062
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154716723
(2R,3S,5R)-2-(aminomethyl)-5-[6-amino-8-(2-piperazin-1-yl-4-pyridinyl)purin-9-yl]oxolan-3-ol
CID 102360249
[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
CID 24822594
(2R,3S,5R)-5-[6-amino-8-(2-trimethylsilylethylsulfanyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10833864
5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 74961463

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 23584681) is (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1nc(-c1ccc(-c3cccc(-c4ccccn4)n3)cc1)n2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is APDNZTMFBZPUHV-BHDDXSALSA-N. The full InChI is InChI=1S/C26H23N7O3/c27-24-23-26(30-14-29-24)33(22-12-20(35)21(13-34)36-22)25(32-23)16-9-7-15(8-10-16)17-5-3-6-19(31-17)18-4-1-2-11-28-18/h1-11,14,20-22,34-35H,12-13H2,(H2,27,29,30)/t20-,21+,22+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 481.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 23584681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).