1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one

C16H13F3N2O2 — CID 175883353

IUPAC1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCOc1cnccc1N1C(=O)C(C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H13F3N2O2/c1-9-11-4-3-10(16(17,18)19)7-13(11)21(15(9)22)12-5-6-20-8-14(12)23-2/h3-9H,1-2H3
InChIKeyIQBUHAAGOZBVJU-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.89
Rot. Bonds2

About 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one

1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 175883353) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID175883353
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCOc1cnccc1N1C(=O)C(C)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H13F3N2O2/c1-9-11-4-3-10(16(17,18)19)7-13(11)21(15(9)22)12-5-6-20-8-14(12)23-2/h3-9H,1-2H3
InChIKeyIQBUHAAGOZBVJU-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one (CID 175883353) is 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one is COc1cnccc1N1C(=O)C(C)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is IQBUHAAGOZBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9-11-4-3-10(16(17,18)19)7-13(11)21(15(9)22)12-5-6-20-8-14(12)23-2/h3-9H,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one?
1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 322.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 175883353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).