2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine

C23H22F3N3O4S — CID 11576833

IUPAC2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(15-22(28-21)29-9-11-32-12-10-29)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyVKODEUVKMXJTNQ-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.63
Rot. Bonds6

About 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine

2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine (PubChem CID 11576833) has the molecular formula C23H22F3N3O4S and a molecular weight of 493.51 g/mol. Its IUPAC name is 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
PubChem CID11576833
Molecular FormulaC23H22F3N3O4S
Molecular Weight493.51 g/mol
Exact Mass493.13
IUPAC Name2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESCS(=O)(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)c1
InChIInChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(15-22(28-21)29-9-11-32-12-10-29)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyVKODEUVKMXJTNQ-UHFFFAOYSA-N
XLogP4.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine 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 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The IUPAC name of 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine (CID 11576833) is 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine.
What is the SMILES notation for 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The canonical SMILES for 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine is CS(=O)(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
The InChIKey is VKODEUVKMXJTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4S/c1-34(30,31)20-4-2-3-16(13-20)21-14-18(15-22(28-21)29-9-11-32-12-10-29)27-17-5-7-19(8-6-17)33-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28).
What are the key properties of 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine?
2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine has a molecular weight of 493.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylphenyl)-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine is sourced from PubChem (CID 11576833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).