1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone

C23H19N3O — CID 20877555

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C23H19N3O/c27-22(25-15-14-17-8-4-6-12-20(17)25)16-26-21-13-7-5-11-19(21)23(24-26)18-9-2-1-3-10-18/h1-13H,14-16H2
InChIKeyJQYNOPXLXONOBD-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.29
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone (PubChem CID 20877555) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
PubChem CID20877555
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C23H19N3O/c27-22(25-15-14-17-8-4-6-12-20(17)25)16-26-21-13-7-5-11-19(21)23(24-26)18-9-2-1-3-10-18/h1-13H,14-16H2
InChIKeyJQYNOPXLXONOBD-UHFFFAOYSA-N
XLogP4.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 42111237
2-(benzimidazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 4171967
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 45498091
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-propylpyridazino[4,5-b]indol-4-one
CID 20912849
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylindole-3-carbaldehyde
CID 783760
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone (CID 20877555) is 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone is O=C(Cn1nc(-c2ccccc2)c2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
The InChIKey is JQYNOPXLXONOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c27-22(25-15-14-17-8-4-6-12-20(17)25)16-26-21-13-7-5-11-19(21)23(24-26)18-9-2-1-3-10-18/h1-13H,14-16H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone has a molecular weight of 353.43 g/mol, XLogP of 4.29, 3 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-(3-phenylindazol-1-yl)ethanone is sourced from PubChem (CID 20877555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).