(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one

C16H14F3N3O3S — CID 118163704

IUPAC(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
SMILESC[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3/t9-/m1/s1
InChIKeyOFBBDKNGBIEZPG-SECBINFHSA-N
MW385.37 g/mol
LogP2.85
Rot. Bonds2

About (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one

(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one (PubChem CID 118163704) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
PubChem CID118163704
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
SMILESC[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3/t9-/m1/s1
InChIKeyOFBBDKNGBIEZPG-SECBINFHSA-N
XLogP2.85
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-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 (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The IUPAC name of (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one (CID 118163704) is (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one.
What is the SMILES notation for (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The canonical SMILES for (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one is C[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
The InChIKey is OFBBDKNGBIEZPG-SECBINFHSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-9-5-14(23)15-13(7-11(20)8-21-15)22(9)26(24,25)12-4-2-3-10(6-12)16(17,18)19/h2-4,6-9H,5,20H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one?
(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one has a molecular weight of 385.37 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one is sourced from PubChem (CID 118163704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).