1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C9H9N3O — CID 123135068

IUPAC1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nccc(N)c12
InChIInChI=1S/C9H9N3O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H3,10,11,12)
InChIKeyNVWUCURTDZWQBC-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.35
Rot. Bonds1

About 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 123135068) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID123135068
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nccc(N)c12
InChIInChI=1S/C9H9N3O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H3,10,11,12)
InChIKeyNVWUCURTDZWQBC-UHFFFAOYSA-N
XLogP1.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 123135068) is 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2nccc(N)c12.
What is the InChIKey of 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is NVWUCURTDZWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5(13)6-4-12-9-8(6)7(10)2-3-11-9/h2-4H,1H3,(H3,10,11,12).
What are the key properties of 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 123135068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).