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

C23H22F3N3O3S — CID 143206350

IUPAC6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O3S/c1-33(30)20-4-2-3-16(13-20)21-14-18(29-9-11-31-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)32-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyYBXHQTSOZARAND-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.96
Rot. Bonds6

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

6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 143206350) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID143206350
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC Name6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESCS(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1
InChIInChI=1S/C23H22F3N3O3S/c1-33(30)20-4-2-3-16(13-20)21-14-18(29-9-11-31-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)32-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28)
InChIKeyYBXHQTSOZARAND-UHFFFAOYSA-N
XLogP4.96
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 143206350) is 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is CS(=O)c1cccc(-c2cc(N3CCOCC3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)c1.
What is the InChIKey of 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is YBXHQTSOZARAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c1-33(30)20-4-2-3-16(13-20)21-14-18(29-9-11-31-12-10-29)15-22(28-21)27-17-5-7-19(8-6-17)32-23(24,25)26/h2-8,13-15H,9-12H2,1H3,(H,27,28).
What are the key properties of 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 477.51 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfinylphenyl)-4-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 143206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).