[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol

C13H21N3O2Si — CID 175749387

IUPAC[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESC[Si](C)(C)CCOCc1[nH]nc2ncc(CO)cc12
InChIInChI=1S/C13H21N3O2Si/c1-19(2,3)5-4-18-9-12-11-6-10(8-17)7-14-13(11)16-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyJALKHWOXHGGDQK-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.31
Rot. Bonds6

About [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol

[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol (PubChem CID 175749387) has the molecular formula C13H21N3O2Si and a molecular weight of 279.42 g/mol. Its IUPAC name is [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol
PubChem CID175749387
Molecular FormulaC13H21N3O2Si
Molecular Weight279.42 g/mol
Exact Mass279.14
IUPAC Name[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol
SMILESC[Si](C)(C)CCOCc1[nH]nc2ncc(CO)cc12
InChIInChI=1S/C13H21N3O2Si/c1-19(2,3)5-4-18-9-12-11-6-10(8-17)7-14-13(11)16-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyJALKHWOXHGGDQK-UHFFFAOYSA-N
XLogP2.31
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[5-(2-trimethylsilylethoxymethyl)-1H-imidazol-2-yl]methanol
CID 70088633
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
[6-bromo-3-(2-trimethylsilylethoxymethyl)-2H-indazol-4-yl]methyl methanesulfonate
CID 169191300
2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
CID 69370736
(3-iodofuro[2,3-b]pyridin-5-yl)methanol
CID 133061609
2-(2-trimethylsilylethoxymethyl)-7,9-dihydropurin-8-one
CID 154294883
5-(2-trimethylsilylethoxymethyl)-1H-imidazole-2-carbaldehyde
CID 87599786
trimethyl-[2-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methoxy]ethyl]silane
CID 123459953
2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280442
[4-amino-5-methyl-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]methanol
CID 174096302
2-[[5-(2-trimethylsilylethoxymethoxy)-3-pyridinyl]methylamino]ethanol
CID 165405693

Frequently Asked Questions

What is the IUPAC name of [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol?
The IUPAC name of [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol (CID 175749387) is [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol.
What is the SMILES notation for [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol?
The canonical SMILES for [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol is C[Si](C)(C)CCOCc1[nH]nc2ncc(CO)cc12.
What is the InChIKey of [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol?
The InChIKey is JALKHWOXHGGDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2Si/c1-19(2,3)5-4-18-9-12-11-6-10(8-17)7-14-13(11)16-15-12/h6-7,17H,4-5,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol?
[3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol has a molecular weight of 279.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methanol is sourced from PubChem (CID 175749387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).