1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

C17H19N3O — CID 5307321

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O/c21-17(20-10-9-13-5-2-4-8-16(13)20)12-19-11-14-6-1-3-7-15(14)18-19/h2,4-5,8,11H,1,3,6-7,9-10,12H2
InChIKeyXORGSBORWCVXDO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.35
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (PubChem CID 5307321) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
PubChem CID5307321
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESO=C(Cn1cc2c(n1)CCCC2)N1CCc2ccccc21
InChIInChI=1S/C17H19N3O/c21-17(20-10-9-13-5-2-4-8-16(13)20)12-19-11-14-6-1-3-7-15(14)18-19/h2,4-5,8,11H,1,3,6-7,9-10,12H2
InChIKeyXORGSBORWCVXDO-UHFFFAOYSA-N
XLogP2.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (CID 5307321) is 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is O=C(Cn1cc2c(n1)CCCC2)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The InChIKey is XORGSBORWCVXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-10-9-13-5-2-4-8-16(13)20)12-19-11-14-6-1-3-7-15(14)18-19/h2,4-5,8,11H,1,3,6-7,9-10,12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is sourced from PubChem (CID 5307321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).