(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one

C15H15F3N2O2 — CID 139064048

IUPAC(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
SMILESC[C@@H]1C[C@H](C)c2cc3c(C(F)(F)F)cc(=O)oc3nc2N1C
InChIInChI=1S/C15H15F3N2O2/c1-7-4-8(2)20(3)13-9(7)5-10-11(15(16,17)18)6-12(21)22-14(10)19-13/h5-8H,4H2,1-3H3/t7-,8+/m0/s1
InChIKeyVLMZLPKVXFVGMA-JGVFFNPUSA-N
MW312.29 g/mol
LogP3.54
Rot. Bonds

About (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one

(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one (PubChem CID 139064048) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
PubChem CID139064048
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
SMILESC[C@@H]1C[C@H](C)c2cc3c(C(F)(F)F)cc(=O)oc3nc2N1C
InChIInChI=1S/C15H15F3N2O2/c1-7-4-8(2)20(3)13-9(7)5-10-11(15(16,17)18)6-12(21)22-14(10)19-13/h5-8H,4H2,1-3H3/t7-,8+/m0/s1
InChIKeyVLMZLPKVXFVGMA-JGVFFNPUSA-N
XLogP3.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one with MolForge

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Related Compounds

9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 535721
2H-Pyrano(2,3-b)pyridin-2-one, 4-methyl-7-(4-morpholinyl)-
CID 93904
US20250066377, Example 17
CID 168942069
US20250066377, Example 18
CID 168942156
7-Dimethylamino-4-methyl-8-azacoumarin
CID 12414433
2-Oxo-6,9-dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-2H-pyrano [2,3-b][1,8]naphthyridine
CID 12378164
6,9-dimethyl-8-phenyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 12378167
7-Morpholin-4-yl-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 12414431
7-(2-Phenylethylamino)-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 20342583
(4S,4aR,8aR)-4-phenyl-1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143724924
US20250066377, Example 12
CID 168942087
US20250066377, Example 09
CID 168942132

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The IUPAC name of (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one (CID 139064048) is (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one.
What is the SMILES notation for (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The canonical SMILES for (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one is C[C@@H]1C[C@H](C)c2cc3c(C(F)(F)F)cc(=O)oc3nc2N1C.
What is the InChIKey of (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The InChIKey is VLMZLPKVXFVGMA-JGVFFNPUSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-7-4-8(2)20(3)13-9(7)5-10-11(15(16,17)18)6-12(21)22-14(10)19-13/h5-8H,4H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one has a molecular weight of 312.29 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one is sourced from PubChem (CID 139064048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).