2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol

C12H15N3O4 — CID 14410915

IUPAC2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol
SMILESCOc1ccnc2c1cnn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H15N3O4/c1-18-9-2-3-13-12-7(9)5-14-15(12)11-4-8(17)10(6-16)19-11/h2-3,5,8,10-11,16-17H,4,6H2,1H3
InChIKeyCQOXZUSXKUJHPH-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.08
Rot. Bonds3

About 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol

2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol (PubChem CID 14410915) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol
PubChem CID14410915
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol
SMILESCOc1ccnc2c1cnn2C1CC(O)C(CO)O1
InChIInChI=1S/C12H15N3O4/c1-18-9-2-3-13-12-7(9)5-14-15(12)11-4-8(17)10(6-16)19-11/h2-3,5,8,10-11,16-17H,4,6H2,1H3
InChIKeyCQOXZUSXKUJHPH-UHFFFAOYSA-N
XLogP0.08
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S,5R)-2-(hydroxymethyl)-5-(4-methoxypyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 14410743
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
2-(hydroxymethyl)-5-(4-methoxy-3-methylpyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 144726695
N-[1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(2-phenoxyacetyl)amino]pyrazolo[3,4-d]pyrimidin-4-yl]-2-phenoxyacetamide
CID 90764560
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
N-[1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 157118140
4-methoxy-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 14410737
(2S,3R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154710689
(2S,3R,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 87921806
(2R,3S,5R)-5-[4-amino-7-(2-naphthalen-1-ylethynyl)pyrazolo[4,5-c]pyridin-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 122376027
(2R,5R)-5-[6-[2-(3-hydroxy-4-methoxyphenyl)ethylamino]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 70912999
2-(hydroxymethyl)-5-(3-iodo-4-methoxy-6,7-dihydropyrazolo[5,4-d]pyrimidin-1-yl)oxolan-3-ol
CID 136643003

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol (CID 14410915) is 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol is COc1ccnc2c1cnn2C1CC(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol?
The InChIKey is CQOXZUSXKUJHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-9-2-3-13-12-7(9)5-14-15(12)11-4-8(17)10(6-16)19-11/h2-3,5,8,10-11,16-17H,4,6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol?
2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol has a molecular weight of 265.27 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(4-methoxypyrazolo[3,4-b]pyridin-1-yl)oxolan-3-ol is sourced from PubChem (CID 14410915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).