1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C14H17N3O — CID 118146136

IUPAC1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(C2=CNC3=CC=CNC32)CC1
InChIInChI=1S/C14H17N3O/c1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13/h2-4,6,9,14-16H,5,7-8H2,1H3
InChIKeyXGZUFYPFOHSEAK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.02
Rot. Bonds1

About 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 118146136) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID118146136
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(C2=CNC3=CC=CNC32)CC1
InChIInChI=1S/C14H17N3O/c1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13/h2-4,6,9,14-16H,5,7-8H2,1H3
InChIKeyXGZUFYPFOHSEAK-UHFFFAOYSA-N
XLogP1.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 118146136) is 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(C2=CNC3=CC=CNC32)CC1.
What is the InChIKey of 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is XGZUFYPFOHSEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(18)17-7-4-11(5-8-17)12-9-16-13-3-2-6-15-14(12)13/h2-4,6,9,14-16H,5,7-8H2,1H3.
What are the key properties of 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3a,4-dihydro-1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 118146136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).