(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C15H18N6O4 — CID 46182809

IUPAC(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccn[nH]2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O4/c1-15(24)11(23)9(5-22)25-14(15)21-4-7(8-2-3-19-20-8)10-12(16)17-6-18-13(10)21/h2-4,6,9,11,14,22-24H,5H2,1H3,(H,19,20)(H2,16,17,18)/t9-,11-,14-,15-/m1/s1
InChIKeyCWPKRLBNQHXJQX-NZQZLILVSA-N
MW346.35 g/mol
LogP-0.59
Rot. Bonds3

About (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 46182809) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID46182809
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC Name(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccn[nH]2)c2c(N)ncnc21
InChIInChI=1S/C15H18N6O4/c1-15(24)11(23)9(5-22)25-14(15)21-4-7(8-2-3-19-20-8)10-12(16)17-6-18-13(10)21/h2-4,6,9,11,14,22-24H,5H2,1H3,(H,19,20)(H2,16,17,18)/t9-,11-,14-,15-/m1/s1
InChIKeyCWPKRLBNQHXJQX-NZQZLILVSA-N
XLogP-0.59
TPSA155.33 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-[6-Amino-2-(4-p-tolyl-pyrazol-1-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 9823602
(2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CID 9845174
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44194404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(1H-imidazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44194497
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44194498
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44194500
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44194501
(2R,3R,4S,5R)-2-[5-fluoro-4-(1H-pyrrol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194591
(2R,3R,4S,5R)-2-[5-fluoro-4-(1H-imidazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194594
(2R,3R,4S,5R)-2-[5-fluoro-4-(1H-pyrrol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44194595
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-selenophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
CID 44626759
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 44626760

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 46182809) is (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(-c2ccn[nH]2)c2c(N)ncnc21.
What is the InChIKey of (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is CWPKRLBNQHXJQX-NZQZLILVSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-15(24)11(23)9(5-22)25-14(15)21-4-7(8-2-3-19-20-8)10-12(16)17-6-18-13(10)21/h2-4,6,9,11,14,22-24H,5H2,1H3,(H,19,20)(H2,16,17,18)/t9-,11-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 346.35 g/mol, XLogP of -0.59, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 46182809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).