2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone

C22H20FN3O — CID 109192418

IUPAC2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-18-7-5-16(6-8-18)11-13-24-19-9-10-20(25-15-19)22(27)26-14-12-17-3-1-2-4-21(17)26/h1-10,15,24H,11-14H2
InChIKeyVIOFCLNKEMGTGL-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.08
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone (PubChem CID 109192418) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
PubChem CID109192418
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
SMILESO=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-18-7-5-16(6-8-18)11-13-24-19-9-10-20(25-15-19)22(27)26-14-12-17-3-1-2-4-21(17)26/h1-10,15,24H,11-14H2
InChIKeyVIOFCLNKEMGTGL-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192809
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236521
2,3-dihydroindol-1-yl-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]methanone
CID 109185537
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182563
2,3-dihydroindol-1-yl-[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214592
2,3-dihydroindol-1-yl-[2-(2-phenylethylamino)pyrimidin-4-yl]methanone
CID 109307779
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone (CID 109192418) is 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone is O=C(c1ccc(NCCc2ccc(F)cc2)cn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
The InChIKey is VIOFCLNKEMGTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-18-7-5-16(6-8-18)11-13-24-19-9-10-20(25-15-19)22(27)26-14-12-17-3-1-2-4-21(17)26/h1-10,15,24H,11-14H2.
What are the key properties of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone has a molecular weight of 361.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone is sourced from PubChem (CID 109192418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).