4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide

C11H14N6O5 — CID 46873872

IUPAC4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
InChIInChI=1S/C11H14N6O5/c12-8-4-5(9(13)21)16-17(10(4)15-2-14-8)11-7(20)6(19)3(1-18)22-11/h2-3,6-7,11,18-20H,1H2,(H2,13,21)(H2,12,14,15)/t3-,6-,7-,11?/m1/s1
InChIKeySIZLYHVFGJCQJB-XMWOWRIZSA-N
MW310.27 g/mol
LogP-2.88
Rot. Bonds3

About 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 46873872) has the molecular formula C11H14N6O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID46873872
Molecular FormulaC11H14N6O5
Molecular Weight310.27 g/mol
Exact Mass310.10
IUPAC Name4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
InChIInChI=1S/C11H14N6O5/c12-8-4-5(9(13)21)16-17(10(4)15-2-14-8)11-7(20)6(19)3(1-18)22-11/h2-3,6-7,11,18-20H,1H2,(H2,13,21)(H2,12,14,15)/t3-,6-,7-,11?/m1/s1
InChIKeySIZLYHVFGJCQJB-XMWOWRIZSA-N
XLogP-2.88
TPSA182.63 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

4-Amino-3-carboxamido-1-(beta-ribofuranosyl)pyrazolo(3,4-d)pyrimidine
CID 98801
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 21829246
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 46874991
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N'-hydroxypyrazolo[3,4-d]pyrimidine-3-carboximidamide
CID 135976377
(2R,3R,4S,5R)-2-[4-amino-3-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 164609608
(2R,3R,4S,5R)-2-(4-amino-3-ethynylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 134500490
(2R,3R,4S,5R)-2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 134500703
[(2R,3S,4R,5R)-5-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl sulfamate
CID 134500658
[(2R,3S,4R,5R)-5-(4-amino-3-cyano-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl sulfamate
CID 134500716
[(2R,3S,4R,5R)-5-(4-amino-3-carbamoyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl sulfamate
CID 134500755
[(2R,3S,4R,5R)-5-(4-amino-3-ethynyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl sulfamate
CID 134500783
{(2R,3S,4R,5R)-5-[4-amino-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxytetrahydrofuran-2-yl}methyl sulfamate
CID 134501227

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 46873872) is 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is NC(=O)c1nn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12.
What is the InChIKey of 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is SIZLYHVFGJCQJB-XMWOWRIZSA-N. The full InChI is InChI=1S/C11H14N6O5/c12-8-4-5(9(13)21)16-17(10(4)15-2-14-8)11-7(20)6(19)3(1-18)22-11/h2-3,6-7,11,18-20H,1H2,(H2,13,21)(H2,12,14,15)/t3-,6-,7-,11?/m1/s1.
What are the key properties of 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 310.27 g/mol, XLogP of -2.88, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 46873872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).