acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine

C34H49FN6O3 — CID 176924077

About acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine

acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 176924077) has the molecular formula C34H49FN6O3 and a molecular weight of 608.80 g/mol. Its IUPAC name is acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

• Compound Name: acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine
• PubChem CID: 176924077
• Molecular Formula: C34H49FN6O3
• Molecular Weight: 608.80 g/mol
• Exact Mass: 608.39
• IUPAC Name: acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine
• SMILES: CC.CC=O.CCN(C)C(C)C.Fc1ccc(Oc2cncnc2N2CC3(CC(Oc4ccnc5c4CNCC5)C3)C2)cc1
• InChI: InChI=1S/C24H24FN5O2.C6H15N.C2H4O.C2H6/c25-16-1-3-17(4-2-16)31-22-12-27-15-29-23(22)30-13-24(14-30)9-18(10-24)32-21-6-8-28-20-5-7-26-11-19(20)21;1-5-7(4)6(2)3;1-2-3;1-2/h1-4,6,8,12,15,18,26H,5,7,9-11,13-14H2;6H,5H2,1-4H3;2H,1H3;1-2H3
• InChIKey: RNFVQSJTXSPEJH-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.80
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine?

The IUPAC name of acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 176924077) is acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine.

What is the SMILES notation for acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine?

The canonical SMILES for acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine is CC.CC=O.CCN(C)C(C)C.Fc1ccc(Oc2cncnc2N2CC3(CC(Oc4ccnc5c4CNCC5)C3)C2)cc1.

What is the InChIKey of acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine?

The InChIKey is RNFVQSJTXSPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2.C6H15N.C2H4O.C2H6/c25-16-1-3-17(4-2-16)31-22-12-27-15-29-23(22)30-13-24(14-30)9-18(10-24)32-21-6-8-28-20-5-7-26-11-19(20)21;1-5-7(4)6(2)3;1-2-3;1-2/h1-4,6,8,12,15,18,26H,5,7,9-11,13-14H2;6H,5H2,1-4H3;2H,1H3;1-2H3.

What are the key properties of acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine?

acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 608.80 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;ethane;N-ethyl-N-methylpropan-2-amine;4-[[2-[5-(4-fluorophenoxy)pyrimidin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 176924077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).