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

C23H22F3N3O2S — CID 143206356

IUPAC6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCSc1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O2S/c1-32-20-4-2-3-16(13-20)21-14-18(29-9-11-30-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)31-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyANMQXTZFPFFDGJ-UHFFFAOYSA-N
MW461.51 g/mol
LogP5.95
Rot. Bonds6

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

6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 143206356) has the molecular formula C23H22F3N3O2S and a molecular weight of 461.51 g/mol. Its IUPAC name is 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID143206356
Molecular FormulaC23H22F3N3O2S
Molecular Weight461.51 g/mol
Exact Mass461.14
IUPAC Name6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCSc1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O2S/c1-32-20-4-2-3-16(13-20)21-14-18(29-9-11-30-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)31-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyANMQXTZFPFFDGJ-UHFFFAOYSA-N
XLogP5.95
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-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 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 143206356) is 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is CSc1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is ANMQXTZFPFFDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2S/c1-32-20-4-2-3-16(13-20)21-14-18(29-9-11-30-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)31-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28).
What are the key properties of 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 461.51 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfanylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 143206356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).