1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone

C15H15N3O2 — CID 136538121

IUPAC1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3ncccc32)nc1
InChIInChI=1S/C15H15N3O2/c1-20-12-5-4-11(17-10-12)9-15(19)18-8-6-13-14(18)3-2-7-16-13/h2-5,7,10H,6,8-9H2,1H3
InChIKeyJZKBRJSMAXXFJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.62
Rot. Bonds3

About 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone

1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone (PubChem CID 136538121) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone
PubChem CID136538121
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3ncccc32)nc1
InChIInChI=1S/C15H15N3O2/c1-20-12-5-4-11(17-10-12)9-15(19)18-8-6-13-14(18)3-2-7-16-13/h2-5,7,10H,6,8-9H2,1H3
InChIKeyJZKBRJSMAXXFJC-UHFFFAOYSA-N
XLogP1.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone (CID 136538121) is 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone is COc1ccc(CC(=O)N2CCc3ncccc32)nc1.
What is the InChIKey of 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone?
The InChIKey is JZKBRJSMAXXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-12-5-4-11(17-10-12)9-15(19)18-8-6-13-14(18)3-2-7-16-13/h2-5,7,10H,6,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone?
1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 136538121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).