deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde

C50H66F2N8O12 — CID 165067827

About deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde

deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde (PubChem CID 165067827) has the molecular formula C50H66F2N8O12 and a molecular weight of 1012.14 g/mol. Its IUPAC name is deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde
• PubChem CID: 165067827
• Molecular Formula: C50H66F2N8O12
• Molecular Weight: 1012.14 g/mol
• Exact Mass: 1011.50
• IUPAC Name: deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde
• SMILES: COC(OC)c1nc2c(cc1C=O)C(C)(C)CCN2.COC(OC)c1nc2c(cc1C=O)C(F)(F)CCN2.[2H]C(=O)c1cc2c(nc1C(OC)OC)NCCC2.[2H]C1([2H])CCNc2nc(C(OC)OC)c(C=O)cc21
• InChI: InChI=1S/C14H20N2O3.C12H14F2N2O3.2C12H16N2O3/c1-14(2)5-6-15-12-10(14)7-9(8-17)11(16-12)13(18-3)19-4;1-18-11(19-2)9-7(6-17)5-8-10(16-9)15-4-3-12(8,13)14;2*1-16-12(17-2)10-9(7-15)6-8-4-3-5-13-11(8)14-10/h7-8,13H,5-6H2,1-4H3,(H,15,16);5-6,11H,3-4H2,1-2H3,(H,15,16);2*6-7,12H,3-5H2,1-2H3,(H,13,14)/i;;7D;4D2
• InChIKey: SGJPKMIFRCIVJF-BWGDAXGUSA-N
• XLogP: 7.46
• TPSA: 241.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.14
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde?

The IUPAC name of deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde (CID 165067827) is deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde.

What is the SMILES notation for deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde?

The canonical SMILES for deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde is COC(OC)c1nc2c(cc1C=O)C(C)(C)CCN2.COC(OC)c1nc2c(cc1C=O)C(F)(F)CCN2.[2H]C(=O)c1cc2c(nc1C(OC)OC)NCCC2.[2H]C1([2H])CCNc2nc(C(OC)OC)c(C=O)cc21.

What is the InChIKey of deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde?

The InChIKey is SGJPKMIFRCIVJF-BWGDAXGUSA-N. The full InChI is InChI=1S/C14H20N2O3.C12H14F2N2O3.2C12H16N2O3/c1-14(2)5-6-15-12-10(14)7-9(8-17)11(16-12)13(18-3)19-4;1-18-11(19-2)9-7(6-17)5-8-10(16-9)15-4-3-12(8,13)14;2*1-16-12(17-2)10-9(7-15)6-8-4-3-5-13-11(8)14-10/h7-8,13H,5-6H2,1-4H3,(H,15,16);5-6,11H,3-4H2,1-2H3,(H,15,16);2*6-7,12H,3-5H2,1-2H3,(H,13,14)/i;;7D;4D2.

What are the key properties of deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde?

deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 1012.14 g/mol, XLogP of 7.46, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methanone;5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-difluoro-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde;2-(dimethoxymethyl)-5,5-dimethyl-7,8-dihydro-6H-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 165067827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).