1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one

C17H16F3N3O — CID 133285179

IUPAC1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
SMILESCC(Nc1ccc(C(F)(F)F)cn1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-11(22-15-7-6-13(10-21-15)17(18,19)20)16(24)23-9-8-12-4-2-3-5-14(12)23/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyWRQRGHBUIZOSCZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.49
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one (PubChem CID 133285179) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
PubChem CID133285179
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
SMILESCC(Nc1ccc(C(F)(F)F)cn1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H16F3N3O/c1-11(22-15-7-6-13(10-21-15)17(18,19)20)16(24)23-9-8-12-4-2-3-5-14(12)23/h2-7,10-11H,8-9H2,1H3,(H,21,22)
InChIKeyWRQRGHBUIZOSCZ-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one with MolForge

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Related Compounds

2,3-dihydroindol-1-yl-[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 39059283
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(6-methoxy-3-pyridinyl)amino]propan-1-one
CID 37303828
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 133285141
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
N-[4-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]-N-methylacetamide
CID 86861188
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 47981886
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
CID 97316548
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 154759078

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one (CID 133285179) is 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one is CC(Nc1ccc(C(F)(F)F)cn1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
The InChIKey is WRQRGHBUIZOSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-11(22-15-7-6-13(10-21-15)17(18,19)20)16(24)23-9-8-12-4-2-3-5-14(12)23/h2-7,10-11H,8-9H2,1H3,(H,21,22).
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one has a molecular weight of 335.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one is sourced from PubChem (CID 133285179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).