[3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C25H34F3N3O2 — CID 23533506

About [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 23533506) has the molecular formula C25H34F3N3O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 23533506
• Molecular Formula: C25H34F3N3O2
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.26
• IUPAC Name: [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• SMILES: CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(NC2C3CCC2COC3)C1
• InChI: InChI=1S/C25H34F3N3O2/c1-15(2)24(7-5-20(10-24)30-22-16-3-4-17(22)14-33-13-16)23(32)31-8-6-21-18(12-31)9-19(11-29-21)25(26,27)28/h9,11,15-17,20,22,30H,3-8,10,12-14H2,1-2H3
• InChIKey: VSHUPMYFGIEHCA-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The IUPAC name of [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 23533506) is [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

What is the SMILES notation for [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The canonical SMILES for [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC(C)C1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CCC(NC2C3CCC2COC3)C1.

What is the InChIKey of [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The InChIKey is VSHUPMYFGIEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N3O2/c1-15(2)24(7-5-20(10-24)30-22-16-3-4-17(22)14-33-13-16)23(32)31-8-6-21-18(12-31)9-19(11-29-21)25(26,27)28/h9,11,15-17,20,22,30H,3-8,10,12-14H2,1-2H3.

What are the key properties of [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

[3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-oxabicyclo[3.2.1]octan-8-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 23533506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).