2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol

C13H19N3O2 — CID 121439477

IUPAC2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol
SMILESCC(C)(CN)c1c[nH]c2ccc(OCCO)nc12
InChIInChI=1S/C13H19N3O2/c1-13(2,8-14)9-7-15-10-3-4-11(16-12(9)10)18-6-5-17/h3-4,7,15,17H,5-6,8,14H2,1-2H3
InChIKeyXMDJHATUJPCAHJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.17
Rot. Bonds5

About 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol

2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol (PubChem CID 121439477) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol
PubChem CID121439477
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol
SMILESCC(C)(CN)c1c[nH]c2ccc(OCCO)nc12
InChIInChI=1S/C13H19N3O2/c1-13(2,8-14)9-7-15-10-3-4-11(16-12(9)10)18-6-5-17/h3-4,7,15,17H,5-6,8,14H2,1-2H3
InChIKeyXMDJHATUJPCAHJ-UHFFFAOYSA-N
XLogP1.17
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol?
The IUPAC name of 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol (CID 121439477) is 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol.
What is the SMILES notation for 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol?
The canonical SMILES for 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol is CC(C)(CN)c1c[nH]c2ccc(OCCO)nc12.
What is the InChIKey of 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol?
The InChIKey is XMDJHATUJPCAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,8-14)9-7-15-10-3-4-11(16-12(9)10)18-6-5-17/h3-4,7,15,17H,5-6,8,14H2,1-2H3.
What are the key properties of 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol?
2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol has a molecular weight of 249.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-amino-2-methylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]oxy]ethanol is sourced from PubChem (CID 121439477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).