(2S)-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

C32H28F6N6O6S2 — CID 159989004

IUPAC(2S)-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
SMILESC[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.C[C@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C16H14F3N3O3S/c2*1-9-5-14(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*2-4,6-9H,5,20H2,1H3/t2*9-/m10/s1
InChIKeyOGRZKDPLJHOICR-IGXPJQGBSA-N
MW770.73 g/mol
LogP5.71
Rot. Bonds4

About (2S)-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

(2S)-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 159989004) has the molecular formula C32H28F6N6O6S2 and a molecular weight of 770.73 g/mol. Its IUPAC name is (2S)-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.

Molecular Properties

Compound Name(2S)-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 CID159989004
Molecular FormulaC32H28F6N6O6S2
Molecular Weight770.73 g/mol
Exact Mass770.14
IUPAC Name(2S)-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
SMILESC[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.C[C@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C16H14F3N3O3S/c2*1-9-5-14(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*2-4,6-9H,5,20H2,1H3/t2*9-/m10/s1
InChIKeyOGRZKDPLJHOICR-IGXPJQGBSA-N
XLogP5.71
TPSA186.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.73
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (2S)-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 with MolForge

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Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide
CID 68187504
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(3-sulfamoylphenyl)pyridine-2-carboxamide
CID 77420715
[6-Methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]carbamic acid
CID 118163219
(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
CID 118163704
7-Amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
CID 118163706
(2S)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
CID 118187545
tert-butyl N-[(6R)-6-methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]carbamate
CID 118187556
tert-butyl N-[(6S)-6-methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]carbamate
CID 118187557
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[6-methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]carbamate
CID 118187572
[(6S)-6-methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamic acid
CID 122615066
tert-butyl N-[6-methyl-8-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-1,5-naphthyridin-3-yl]carbamate
CID 122630637
(2S)-2,7-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
CID 122630638

Frequently Asked Questions

What is the IUPAC name of (2S)-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?
The IUPAC name of (2S)-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 (CID 159989004) is (2S)-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.
What is the SMILES notation for (2S)-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?
The canonical SMILES for (2S)-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 is C[C@@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.C[C@H]1CC(=O)c2ncc(N)cc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-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?
The InChIKey is OGRZKDPLJHOICR-IGXPJQGBSA-N. The full InChI is InChI=1S/2C16H14F3N3O3S/c2*1-9-5-14(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*2-4,6-9H,5,20H2,1H3/t2*9-/m10/s1.
What are the key properties of (2S)-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?
(2S)-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 770.73 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-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 is sourced from PubChem (CID 159989004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).