cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane

C24H38F3N3O2 — CID 142976828

About cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane

cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane (PubChem CID 142976828) has the molecular formula C24H38F3N3O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane.

Molecular Properties

• Compound Name: cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane
• PubChem CID: 142976828
• Molecular Formula: C24H38F3N3O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.29
• IUPAC Name: cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane
• SMILES: CC1CNCC(C)O1.CCC.O=C(C1CCCC1)N1CCc2ncc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C15H17F3N2O.C6H13NO.C3H8/c16-15(17,18)12-7-11-9-20(6-5-13(11)19-8-12)14(21)10-3-1-2-4-10;1-5-3-7-4-6(2)8-5;1-3-2/h7-8,10H,1-6,9H2;5-7H,3-4H2,1-2H3;3H2,1-2H3
• InChIKey: YVFUNUZBFFQDHK-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane?

The IUPAC name of cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane (CID 142976828) is cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane.

What is the SMILES notation for cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane?

The canonical SMILES for cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane is CC1CNCC(C)O1.CCC.O=C(C1CCCC1)N1CCc2ncc(C(F)(F)F)cc2C1.

What is the InChIKey of cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane?

The InChIKey is YVFUNUZBFFQDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O.C6H13NO.C3H8/c16-15(17,18)12-7-11-9-20(6-5-13(11)19-8-12)14(21)10-3-1-2-4-10;1-5-3-7-4-6(2)8-5;1-3-2/h7-8,10H,1-6,9H2;5-7H,3-4H2,1-2H3;3H2,1-2H3.

What are the key properties of cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane?

cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane has a molecular weight of 457.58 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;2,6-dimethylmorpholine;propane is sourced from PubChem (CID 142976828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).