1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate

C24H32F3N3O6 — CID 23533481

About 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate

1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate (PubChem CID 23533481) has the molecular formula C24H32F3N3O6 and a molecular weight of 515.53 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate.

Molecular Properties

• Compound Name: 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate
• PubChem CID: 23533481
• Molecular Formula: C24H32F3N3O6
• Molecular Weight: 515.53 g/mol
• Exact Mass: 515.22
• IUPAC Name: 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate
• SMILES: CC(=O)OC(C)C1(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)CCC(NC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C24H32F3N3O6/c1-14(34-15(2)31)23(8-6-17(11-23)29-21(33)36-22(3,4)5)20(32)30-9-7-19-16(13-30)10-18(12-28-19)35-24(25,26)27/h10,12,14,17H,6-9,11,13H2,1-5H3,(H,29,33)
• InChIKey: FFFGSTOKDARVOS-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 107.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.53
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?

The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate (CID 23533481) is 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate.

What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?

The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate is CC(=O)OC(C)C1(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)CCC(NC(=O)OC(C)(C)C)C1.

What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?

The InChIKey is FFFGSTOKDARVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O6/c1-14(34-15(2)31)23(8-6-17(11-23)29-21(33)36-22(3,4)5)20(32)30-9-7-19-16(13-30)10-18(12-28-19)35-24(25,26)27/h10,12,14,17H,6-9,11,13H2,1-5H3,(H,29,33).

What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate?

1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate has a molecular weight of 515.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(trifluoromethoxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]ethyl acetate is sourced from PubChem (CID 23533481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).