(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

C16H12ClF3N2O2 — CID 162358071

IUPAC(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ncc(Cl)cc1[C@]1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12ClF3N2O2/c1-15(11-6-9(17)7-21-13(11)24-2)10-4-3-8(16(18,19)20)5-12(10)22-14(15)23/h3-7H,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyYCMWBOMOQROROY-OAHLLOKOSA-N
MW356.73 g/mol
LogP4.02
Rot. Bonds2

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

(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 162358071) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID162358071
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1ncc(Cl)cc1[C@]1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H12ClF3N2O2/c1-15(11-6-9(17)7-21-13(11)24-2)10-4-3-8(16(18,19)20)5-12(10)22-14(15)23/h3-7H,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyYCMWBOMOQROROY-OAHLLOKOSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-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 (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (CID 162358071) is (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is COc1ncc(Cl)cc1[C@]1(C)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is YCMWBOMOQROROY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c1-15(11-6-9(17)7-21-13(11)24-2)10-4-3-8(16(18,19)20)5-12(10)22-14(15)23/h3-7H,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 356.73 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 162358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).