2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one

C17H15N3O — CID 155534606

IUPAC2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCc1cc2ncccc2[nH]1
InChIInChI=1S/C17H15N3O/c21-17-14-5-2-1-4-12(14)11-20(17)9-7-13-10-16-15(19-13)6-3-8-18-16/h1-6,8,10,19H,7,9,11H2
InChIKeyWEIORHMJQKLZQZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.76
Rot. Bonds3

About 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one

2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one (PubChem CID 155534606) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one
PubChem CID155534606
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1CCc1cc2ncccc2[nH]1
InChIInChI=1S/C17H15N3O/c21-17-14-5-2-1-4-12(14)11-20(17)9-7-13-10-16-15(19-13)6-3-8-18-16/h1-6,8,10,19H,7,9,11H2
InChIKeyWEIORHMJQKLZQZ-UHFFFAOYSA-N
XLogP2.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one (CID 155534606) is 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1CCc1cc2ncccc2[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one?
The InChIKey is WEIORHMJQKLZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-14-5-2-1-4-12(14)11-20(17)9-7-13-10-16-15(19-13)6-3-8-18-16/h1-6,8,10,19H,7,9,11H2.
What are the key properties of 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one?
2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one has a molecular weight of 277.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrolo[3,2-b]pyridin-2-yl)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 155534606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).