(2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane

C26H33ClFN3 — CID 163462915

About (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane

(2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane (PubChem CID 163462915) has the molecular formula C26H33ClFN3 and a molecular weight of 442.02 g/mol. Its IUPAC name is (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane.

Molecular Properties

• Compound Name: (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane
• PubChem CID: 163462915
• Molecular Formula: C26H33ClFN3
• Molecular Weight: 442.02 g/mol
• Exact Mass: 441.23
• IUPAC Name: (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane
• SMILES: Fc1ccc(Cl)c(-c2ccc(CC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1
• InChI: InChI=1S/C26H33ClFN3/c27-24-10-7-21(28)16-23(24)25-11-9-22(29-30-25)8-6-20-17-26(20)12-14-31(15-13-26)18-19-4-2-1-3-5-19/h7,9-11,16,19-20H,1-6,8,12-15,17-18H2/t20-/m1/s1
• InChIKey: BQDHUFSMGCIPPF-HXUWFJFHSA-N
• XLogP: 6.55
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.02
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane?

The IUPAC name of (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane (CID 163462915) is (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane.

What is the SMILES notation for (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane?

The canonical SMILES for (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane is Fc1ccc(Cl)c(-c2ccc(CC[C@@H]3CC34CCN(CC3CCCCC3)CC4)nn2)c1.

What is the InChIKey of (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane?

The InChIKey is BQDHUFSMGCIPPF-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33ClFN3/c27-24-10-7-21(28)16-23(24)25-11-9-22(29-30-25)8-6-20-17-26(20)12-14-31(15-13-26)18-19-4-2-1-3-5-19/h7,9-11,16,19-20H,1-6,8,12-15,17-18H2/t20-/m1/s1.

What are the key properties of (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane?

(2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane has a molecular weight of 442.02 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]ethyl]-6-(cyclohexylmethyl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 163462915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).