1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol

C24H24Cl2FN3O2 — CID 69373437

About 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol

1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol (PubChem CID 69373437) has the molecular formula C24H24Cl2FN3O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol
• PubChem CID: 69373437
• Molecular Formula: C24H24Cl2FN3O2
• Molecular Weight: 476.38 g/mol
• Exact Mass: 475.12
• IUPAC Name: 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol
• SMILES: CC(Oc1cc(-c2ccc(C3(O)CCCCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C24H24Cl2FN3O2/c1-14(21-17(25)6-7-18(27)22(21)26)32-19-11-16(13-30-23(19)28)15-5-8-20(29-12-15)24(31)9-3-2-4-10-24/h5-8,11-14,31H,2-4,9-10H2,1H3,(H2,28,30)
• InChIKey: OREXCZCTKWPCBR-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 81.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.38
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol?

The IUPAC name of 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol (CID 69373437) is 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol.

What is the SMILES notation for 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol?

The canonical SMILES for 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol is CC(Oc1cc(-c2ccc(C3(O)CCCCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol?

The InChIKey is OREXCZCTKWPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O2/c1-14(21-17(25)6-7-18(27)22(21)26)32-19-11-16(13-30-23(19)28)15-5-8-20(29-12-15)24(31)9-3-2-4-10-24/h5-8,11-14,31H,2-4,9-10H2,1H3,(H2,28,30).

What are the key properties of 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol?

1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol has a molecular weight of 476.38 g/mol, XLogP of 6.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 69373437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).