N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde

C37H50FN7O3 — CID 176924094

About N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde

N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde (PubChem CID 176924094) has the molecular formula C37H50FN7O3 and a molecular weight of 659.85 g/mol. Its IUPAC name is N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde.

Molecular Properties

• Compound Name: N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde
• PubChem CID: 176924094
• Molecular Formula: C37H50FN7O3
• Molecular Weight: 659.85 g/mol
• Exact Mass: 659.40
• IUPAC Name: N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde
• SMILES: CC(C1CN(C)C1)N1CCc2nccc(OC3CC4(C3)CN(c3ncncc3Oc3ccc(F)cc3C=O)C4)c2C1.CCN(C)C(C)C
• InChI: InChI=1S/C31H35FN6O3.C6H15N/c1-20(22-13-36(2)14-22)37-8-6-26-25(15-37)28(5-7-34-26)40-24-10-31(11-24)17-38(18-31)30-29(12-33-19-35-30)41-27-4-3-23(32)9-21(27)16-39;1-5-7(4)6(2)3/h3-5,7,9,12,16,19-20,22,24H,6,8,10-11,13-15,17-18H2,1-2H3;6H,5H2,1-4H3
• InChIKey: CZZYCCKTOHFNRD-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 87.16 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.85
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde?

The IUPAC name of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde (CID 176924094) is N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde.

What is the SMILES notation for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde?

The canonical SMILES for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde is CC(C1CN(C)C1)N1CCc2nccc(OC3CC4(C3)CN(c3ncncc3Oc3ccc(F)cc3C=O)C4)c2C1.CCN(C)C(C)C.

What is the InChIKey of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde?

The InChIKey is CZZYCCKTOHFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN6O3.C6H15N/c1-20(22-13-36(2)14-22)37-8-6-26-25(15-37)28(5-7-34-26)40-24-10-31(11-24)17-38(18-31)30-29(12-33-19-35-30)41-27-4-3-23(32)9-21(27)16-39;1-5-7(4)6(2)3/h3-5,7,9,12,16,19-20,22,24H,6,8,10-11,13-15,17-18H2,1-2H3;6H,5H2,1-4H3.

What are the key properties of N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde?

N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde has a molecular weight of 659.85 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde is sourced from PubChem (CID 176924094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).