1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one

C15H11F3N2O — CID 66794059

IUPAC1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cncc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C15H11F3N2O/c1-20-13-3-2-9(4-10(13)6-14(20)21)11-5-12(8-19-7-11)15(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyYGOKYZWCQMPCGF-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.29
Rot. Bonds1

About 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one

1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one (PubChem CID 66794059) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
PubChem CID66794059
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cncc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C15H11F3N2O/c1-20-13-3-2-9(4-10(13)6-14(20)21)11-5-12(8-19-7-11)15(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyYGOKYZWCQMPCGF-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one 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

5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 90850295
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391
1-methyl-6-[5-(trifluoromethyl)-3-pyridinyl]indole
CID 150729998
N-[[5-(1-ethyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 66794046
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one (CID 66794059) is 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cncc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one?
The InChIKey is YGOKYZWCQMPCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-20-13-3-2-9(4-10(13)6-14(20)21)11-5-12(8-19-7-11)15(16,17)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one?
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one has a molecular weight of 292.26 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one is sourced from PubChem (CID 66794059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).