(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol

C17H24N6O4 — CID 130418774

IUPAC(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ccn2[C@@H]1O[C@H](CN2CCOC3(CNC3)C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H24N6O4/c18-14-10-1-2-23(15(10)21-9-20-14)16-13(25)12(24)11(27-16)5-22-3-4-26-17(8-22)6-19-7-17/h1-2,9,11-13,16,19,24-25H,3-8H2,(H2,18,20,21)/t11-,12-,13-,16-/m1/s1
InChIKeyQMOHOGRPZYHRDW-BRXULGCHSA-N
MW376.42 g/mol
LogP-1.69
Rot. Bonds3

About (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol (PubChem CID 130418774) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol
PubChem CID130418774
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1ccn2[C@@H]1O[C@H](CN2CCOC3(CNC3)C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H24N6O4/c18-14-10-1-2-23(15(10)21-9-20-14)16-13(25)12(24)11(27-16)5-22-3-4-26-17(8-22)6-19-7-17/h1-2,9,11-13,16,19,24-25H,3-8H2,(H2,18,20,21)/t11-,12-,13-,16-/m1/s1
InChIKeyQMOHOGRPZYHRDW-BRXULGCHSA-N
XLogP-1.69
TPSA130.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolane-3,4-diol
CID 130418785
(2R,3R,4R,5S,6S,7R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 71171797
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[3,3-difluoro-8-[2-(4-fluorophenyl)ethyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]oxolane-3,4-diol
CID 130418984
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[3,3-difluoro-8-(3-methylbutyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]oxolane-3,4-diol
CID 130418991
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[8-(furan-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]oxolane-3,4-diol
CID 130419243
methyl 2-amino-4-[[(2S,3S,4R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoate
CID 46876659
(2R,3S,4S,5R,6S,7R)-7-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940152
propan-2-yl 2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoate
CID 512696
[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 175676082
7-[(5S)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156542934
(2R,4R,5R)-2-(6-aminopurin-9-yl)-5-(aziridin-1-ylmethyl)oxolane-3,4-diol
CID 59996248
(2R,5R)-2-(6-aminopurin-9-yl)-5-(aziridin-1-ylmethyl)oxolane-3,4-diol
CID 87074451

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol (CID 130418774) is (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol is Nc1ncnc2c1ccn2[C@@H]1O[C@H](CN2CCOC3(CNC3)C2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol?
The InChIKey is QMOHOGRPZYHRDW-BRXULGCHSA-N. The full InChI is InChI=1S/C17H24N6O4/c18-14-10-1-2-23(15(10)21-9-20-14)16-13(25)12(24)11(27-16)5-22-3-4-26-17(8-22)6-19-7-17/h1-2,9,11-13,16,19,24-25H,3-8H2,(H2,18,20,21)/t11-,12-,13-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol has a molecular weight of 376.42 g/mol, XLogP of -1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(5-oxa-2,8-diazaspiro[3.5]nonan-8-ylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 130418774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).