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

C18H23F3N2O — CID 70960555

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

(1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 70960555) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is (1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: (1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 70960555
• Molecular Formula: C18H23F3N2O
• Molecular Weight: 340.39 g/mol
• Exact Mass: 340.18
• IUPAC Name: (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)CCCC1
• InChI: InChI=1S/C18H23F3N2O/c1-12(2)17(6-3-4-7-17)16(24)23-8-5-15-13(11-23)9-14(10-22-15)18(19,20)21/h9-10,12H,3-8,11H2,1-2H3
• InChIKey: JGHQTXJUSKDLEW-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.39
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 70960555) is (1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

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

The canonical SMILES for (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)CCCC1.

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

The InChIKey is JGHQTXJUSKDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-12(2)17(6-3-4-7-17)16(24)23-8-5-15-13(11-23)9-14(10-22-15)18(19,20)21/h9-10,12H,3-8,11H2,1-2H3.

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

(1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1-propan-2-ylcyclopentyl)-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 70960555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).