1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

C14H15N3O — CID 155532606

IUPAC1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(c2cc3ncccc3[nH]2)CCC1
InChIInChI=1S/C14H15N3O/c1-10(18)17-7-3-4-11(9-17)13-8-14-12(16-13)5-2-6-15-14/h2,5-6,8-9,16H,3-4,7H2,1H3
InChIKeyRCQDVSTWVOUAIJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.55
Rot. Bonds1

About 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone

1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 155532606) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID155532606
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=C(c2cc3ncccc3[nH]2)CCC1
InChIInChI=1S/C14H15N3O/c1-10(18)17-7-3-4-11(9-17)13-8-14-12(16-13)5-2-6-15-14/h2,5-6,8-9,16H,3-4,7H2,1H3
InChIKeyRCQDVSTWVOUAIJ-UHFFFAOYSA-N
XLogP2.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone (CID 155532606) is 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1C=C(c2cc3ncccc3[nH]2)CCC1.
What is the InChIKey of 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is RCQDVSTWVOUAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10(18)17-7-3-4-11(9-17)13-8-14-12(16-13)5-2-6-15-14/h2,5-6,8-9,16H,3-4,7H2,1H3.
What are the key properties of 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone?
1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 241.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 155532606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).