(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one

C15H11F3N2O — CID 162358151

IUPAC(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one
SMILESC[C@@]1(c2ccncc2)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O/c1-14(9-4-6-19-7-5-9)11-3-2-10(15(16,17)18)8-12(11)20-13(14)21/h2-8H,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWRANBKLXNYNMMX-AWEZNQCLSA-N
MW292.26 g/mol
LogP3.36
Rot. Bonds1

About (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one

(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 162358151) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID162358151
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one
SMILESC[C@@]1(c2ccncc2)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O/c1-14(9-4-6-19-7-5-9)11-3-2-10(15(16,17)18)8-12(11)20-13(14)21/h2-8H,1H3,(H,20,21)/t14-/m0/s1
InChIKeyWRANBKLXNYNMMX-AWEZNQCLSA-N
XLogP3.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358071
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358091
3-(benzylamino)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 122390604
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
3-cyclopropyl-3-methyl-7-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
CID 115502336
3-fluoro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 164519580
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 126474574
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 83397527
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
CID 125421520
3-[5-chloro-2-(tritritiomethoxy)phenyl]-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 11079059
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10970879
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one (CID 162358151) is (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one is C[C@@]1(c2ccncc2)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is WRANBKLXNYNMMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-14(9-4-6-19-7-5-9)11-3-2-10(15(16,17)18)8-12(11)20-13(14)21/h2-8H,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one?
(3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-pyridin-4-yl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 162358151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).