5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one

C17H15F3N2O2 — CID 126472213

IUPAC5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(Cc1ccc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C17H15F3N2O2/c1-16(8-10-3-6-14(21-9-10)17(18,19)20)12-7-11(24-2)4-5-13(12)22-15(16)23/h3-7,9H,8H2,1-2H3,(H,22,23)
InChIKeyBJAXIUMPXUEWHR-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.56
Rot. Bonds3

About 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one

5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one (PubChem CID 126472213) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one
PubChem CID126472213
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one
SMILESCOc1ccc2c(c1)C(C)(Cc1ccc(C(F)(F)F)nc1)C(=O)N2
InChIInChI=1S/C17H15F3N2O2/c1-16(8-10-3-6-14(21-9-10)17(18,19)20)12-7-11(24-2)4-5-13(12)22-15(16)23/h3-7,9H,8H2,1-2H3,(H,22,23)
InChIKeyBJAXIUMPXUEWHR-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one?
The IUPAC name of 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one (CID 126472213) is 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one.
What is the SMILES notation for 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one?
The canonical SMILES for 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one is COc1ccc2c(c1)C(C)(Cc1ccc(C(F)(F)F)nc1)C(=O)N2.
What is the InChIKey of 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one?
The InChIKey is BJAXIUMPXUEWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-16(8-10-3-6-14(21-9-10)17(18,19)20)12-7-11(24-2)4-5-13(12)22-15(16)23/h3-7,9H,8H2,1-2H3,(H,22,23).
What are the key properties of 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one?
5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one has a molecular weight of 336.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indol-2-one is sourced from PubChem (CID 126472213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).