(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol

C11H15N5O2 — CID 134711259

IUPAC(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
SMILESOC[C@H]1CN(c2ncnc3[nH]ncc23)CC[C@H]1O
InChIInChI=1S/C11H15N5O2/c17-5-7-4-16(2-1-9(7)18)11-8-3-14-15-10(8)12-6-13-11/h3,6-7,9,17-18H,1-2,4-5H2,(H,12,13,14,15)/t7-,9-/m1/s1
InChIKeyXZAIWTOAXUWGEK-VXNVDRBHSA-N
MW249.27 g/mol
LogP-0.47
Rot. Bonds2

About (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol

(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol (PubChem CID 134711259) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
PubChem CID134711259
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
SMILESOC[C@H]1CN(c2ncnc3[nH]ncc23)CC[C@H]1O
InChIInChI=1S/C11H15N5O2/c17-5-7-4-16(2-1-9(7)18)11-8-3-14-15-10(8)12-6-13-11/h3,6-7,9,17-18H,1-2,4-5H2,(H,12,13,14,15)/t7-,9-/m1/s1
InChIKeyXZAIWTOAXUWGEK-VXNVDRBHSA-N
XLogP-0.47
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol with MolForge

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Related Compounds

1-(6-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 138031312
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
(3S)-N-(cyclopropylmethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 97076436
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
[1-(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629759
[1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 178104863
4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71975881

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol (CID 134711259) is (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol is OC[C@H]1CN(c2ncnc3[nH]ncc23)CC[C@H]1O.
What is the InChIKey of (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol?
The InChIKey is XZAIWTOAXUWGEK-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-5-7-4-16(2-1-9(7)18)11-8-3-14-15-10(8)12-6-13-11/h3,6-7,9,17-18H,1-2,4-5H2,(H,12,13,14,15)/t7-,9-/m1/s1.
What are the key properties of (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol?
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol has a molecular weight of 249.27 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 134711259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).