4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate

C54H50Cl2F6N6O7 — CID 158321562

About 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate

4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 158321562) has the molecular formula C54H50Cl2F6N6O7 and a molecular weight of 1079.92 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

• Compound Name: 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 158321562
• Molecular Formula: C54H50Cl2F6N6O7
• Molecular Weight: 1079.92 g/mol
• Exact Mass: 1078.30
• IUPAC Name: 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate
• SMILES: O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1ccc(Oc3ccccc3Cl)cc1)C2.O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CNC2.O=Cc1ccc(Oc2ccccc2Cl)cc1
• InChI: InChI=1S/C27H25ClF3N3O3.C14H16F3N3O2.C13H9ClO2/c28-23-3-1-2-4-24(23)36-21-7-5-19(6-8-21)16-33-17-26(18-33)9-11-34(12-10-26)25(35)37-22-13-20(14-32-15-22)27(29,30)31;15-14(16,17)10-5-11(7-18-6-10)22-12(21)20-3-1-13(2-4-20)8-19-9-13;14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,13-15H,9-12,16-18H2;5-7,19H,1-4,8-9H2;1-9H
• InChIKey: GOXIJIPAZZCTQA-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 135.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.92
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The IUPAC name of 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 158321562) is 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate.

What is the SMILES notation for 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The canonical SMILES for 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1ccc(Oc3ccccc3Cl)cc1)C2.O=C(Oc1cncc(C(F)(F)F)c1)N1CCC2(CC1)CNC2.O=Cc1ccc(Oc2ccccc2Cl)cc1.

What is the InChIKey of 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

The InChIKey is GOXIJIPAZZCTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N3O3.C14H16F3N3O2.C13H9ClO2/c28-23-3-1-2-4-24(23)36-21-7-5-19(6-8-21)16-33-17-26(18-33)9-11-34(12-10-26)25(35)37-22-13-20(14-32-15-22)27(29,30)31;15-14(16,17)10-5-11(7-18-6-10)22-12(21)20-3-1-13(2-4-20)8-19-9-13;14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,13-15H,9-12,16-18H2;5-7,19H,1-4,8-9H2;1-9H.

What are the key properties of 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate?

4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 1079.92 g/mol, XLogP of 12.87, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chlorophenoxy)benzaldehyde;[5-(trifluoromethyl)-3-pyridinyl] 2-[[4-(2-chlorophenoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;[5-(trifluoromethyl)-3-pyridinyl] 2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 158321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).