[8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H33F3N4O3 — CID 123815540

About [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 123815540) has the molecular formula C24H33F3N4O3 and a molecular weight of 482.55 g/mol. Its IUPAC name is [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 123815540
• Molecular Formula: C24H33F3N4O3
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.25
• IUPAC Name: [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• SMILES: COC1COCCC1NC1CCC2(CNCC2C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
• InChI: InChI=1S/C24H33F3N4O3/c1-33-21-13-34-7-4-20(21)30-17-2-5-23(9-17)14-28-11-18(23)22(32)31-6-3-19-15(12-31)8-16(10-29-19)24(25,26)27/h8,10,17-18,20-21,28,30H,2-7,9,11-14H2,1H3
• InChIKey: BOEMGIDNLXXRRV-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 75.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The IUPAC name of [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 123815540) is [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

What is the SMILES notation for [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The canonical SMILES for [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COC1COCCC1NC1CCC2(CNCC2C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.

What is the InChIKey of [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The InChIKey is BOEMGIDNLXXRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N4O3/c1-33-21-13-34-7-4-20(21)30-17-2-5-23(9-17)14-28-11-18(23)22(32)31-6-3-19-15(12-31)8-16(10-29-19)24(25,26)27/h8,10,17-18,20-21,28,30H,2-7,9,11-14H2,1H3.

What are the key properties of [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

[8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 482.55 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(3-methoxyoxan-4-yl)amino]-2-azaspiro[4.4]nonan-4-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 123815540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).