3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol

C9H12N4O2 — CID 170828207

IUPAC3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C9H12N4O2/c10-2-7(14)8(15)5-1-6-4-12-13-9(6)11-3-5/h1,3-4,7-8,14-15H,2,10H2,(H,11,12,13)
InChIKeyZTKXRMXOSMJZOC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.69
Rot. Bonds3

About 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol

3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol (PubChem CID 170828207) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
PubChem CID170828207
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1cnc2[nH]ncc2c1
InChIInChI=1S/C9H12N4O2/c10-2-7(14)8(15)5-1-6-4-12-13-9(6)11-3-5/h1,3-4,7-8,14-15H,2,10H2,(H,11,12,13)
InChIKeyZTKXRMXOSMJZOC-UHFFFAOYSA-N
XLogP-0.69
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
5-(3-amino-1,2-dihydroxypropyl)-3-methylpyridine-2-carboxylic acid
CID 170828477
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
ethane;5-ethyl-1H-pyrazolo[5,4-b]pyridine
CID 176692042
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-ylpentanamide
CID 118946304
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
5-(methoxymethyl)-1H-pyrazolo[5,4-b]pyridine
CID 67031148
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol (CID 170828207) is 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol is NCC(O)C(O)c1cnc2[nH]ncc2c1.
What is the InChIKey of 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol?
The InChIKey is ZTKXRMXOSMJZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-2-7(14)8(15)5-1-6-4-12-13-9(6)11-3-5/h1,3-4,7-8,14-15H,2,10H2,(H,11,12,13).
What are the key properties of 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol?
3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol has a molecular weight of 208.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol is sourced from PubChem (CID 170828207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).