2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone

C21H16F3N3O — CID 109176438

IUPAC2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2cccc(C(F)(F)F)c2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-5-3-6-17(13-16)26-19-12-15(8-10-25-19)20(28)27-11-9-14-4-1-2-7-18(14)27/h1-8,10,12-13H,9,11H2,(H,25,26)
InChIKeyYKFXKQSQVUXORS-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.05
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone (PubChem CID 109176438) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
PubChem CID109176438
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2cccc(C(F)(F)F)c2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-5-3-6-17(13-16)26-19-12-15(8-10-25-19)20(28)27-11-9-14-4-1-2-7-18(14)27/h1-8,10,12-13H,9,11H2,(H,25,26)
InChIKeyYKFXKQSQVUXORS-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109356630
2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109176532
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
1-(2,3-dihydroindol-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 4818722
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 46384446
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172543
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone (CID 109176438) is 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone is O=C(c1ccnc(Nc2cccc(C(F)(F)F)c2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The InChIKey is YKFXKQSQVUXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)16-5-3-6-17(13-16)26-19-12-15(8-10-25-19)20(28)27-11-9-14-4-1-2-7-18(14)27/h1-8,10,12-13H,9,11H2,(H,25,26).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone has a molecular weight of 383.37 g/mol, XLogP of 5.05, 3 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-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone is sourced from PubChem (CID 109176438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).