2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol

C13H13N5O — CID 44624114

IUPAC2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cccc(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C13H13N5O/c19-8-7-14-11-5-1-4-10(16-11)12-9-3-2-6-15-13(9)18-17-12/h1-6,19H,7-8H2,(H,14,16)(H,15,17,18)
InChIKeyGPJOTBWJIZMHJU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.42
Rot. Bonds4

About 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol

2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol (PubChem CID 44624114) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol
PubChem CID44624114
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cccc(-c2[nH]nc3ncccc23)n1
InChIInChI=1S/C13H13N5O/c19-8-7-14-11-5-1-4-10(16-11)12-9-3-2-6-15-13(9)18-17-12/h1-6,19H,7-8H2,(H,14,16)(H,15,17,18)
InChIKeyGPJOTBWJIZMHJU-UHFFFAOYSA-N
XLogP1.42
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol (CID 44624114) is 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol is OCCNc1cccc(-c2[nH]nc3ncccc23)n1.
What is the InChIKey of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol?
The InChIKey is GPJOTBWJIZMHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c19-8-7-14-11-5-1-4-10(16-11)12-9-3-2-6-15-13(9)18-17-12/h1-6,19H,7-8H2,(H,14,16)(H,15,17,18).
What are the key properties of 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol?
2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol has a molecular weight of 255.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 44624114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).