2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone

C21H23N3O — CID 155954240

IUPAC2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESO=C(CN1CCc2ccccc21)N1CC2(CCC2)C1c1cccnc1
InChIInChI=1S/C21H23N3O/c25-19(14-23-12-8-16-5-1-2-7-18(16)23)24-15-21(9-4-10-21)20(24)17-6-3-11-22-13-17/h1-3,5-7,11,13,20H,4,8-10,12,14-15H2
InChIKeyJVTASNJEJGJUFR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.20
Rot. Bonds3

About 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone

2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 155954240) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone
PubChem CID155954240
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESO=C(CN1CCc2ccccc21)N1CC2(CCC2)C1c1cccnc1
InChIInChI=1S/C21H23N3O/c25-19(14-23-12-8-16-5-1-2-7-18(16)23)24-15-21(9-4-10-21)20(24)17-6-3-11-22-13-17/h1-3,5-7,11,13,20H,4,8-10,12,14-15H2
InChIKeyJVTASNJEJGJUFR-UHFFFAOYSA-N
XLogP3.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone (CID 155954240) is 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone is O=C(CN1CCc2ccccc21)N1CC2(CCC2)C1c1cccnc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is JVTASNJEJGJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-19(14-23-12-8-16-5-1-2-7-18(16)23)24-15-21(9-4-10-21)20(24)17-6-3-11-22-13-17/h1-3,5-7,11,13,20H,4,8-10,12,14-15H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone?
2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 155954240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).