[4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane

C26H40F3N3O3 — CID 142826650

About [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane

[4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane (PubChem CID 142826650) has the molecular formula C26H40F3N3O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane.

Molecular Properties

• Compound Name: [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
• PubChem CID: 142826650
• Molecular Formula: C26H40F3N3O3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.30
• IUPAC Name: [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane
• SMILES: CCC.O=C(C1CCC(N(CCO)C2CCOCC2)CC1)N1CCc2ncc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C23H32F3N3O3.C3H8/c24-23(25,26)18-13-17-15-28(8-5-21(17)27-14-18)22(31)16-1-3-19(4-2-16)29(9-10-30)20-6-11-32-12-7-20;1-3-2/h13-14,16,19-20,30H,1-12,15H2;3H2,1-2H3
• InChIKey: VRELLSWMKXYKDB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?

The IUPAC name of [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane (CID 142826650) is [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane.

What is the SMILES notation for [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?

The canonical SMILES for [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane is CCC.O=C(C1CCC(N(CCO)C2CCOCC2)CC1)N1CCc2ncc(C(F)(F)F)cc2C1.

What is the InChIKey of [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?

The InChIKey is VRELLSWMKXYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O3.C3H8/c24-23(25,26)18-13-17-15-28(8-5-21(17)27-14-18)22(31)16-1-3-19(4-2-16)29(9-10-30)20-6-11-32-12-7-20;1-3-2/h13-14,16,19-20,30H,1-12,15H2;3H2,1-2H3.

What are the key properties of [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane?

[4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane has a molecular weight of 499.62 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-hydroxyethyl(oxan-4-yl)amino]cyclohexyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;propane is sourced from PubChem (CID 142826650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).