(5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine

C₆₉H₈₂Cl₃FN₁₂O₆ — CID 159550556

About (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine

(5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine (PubChem CID 159550556) has the molecular formula C₆₉H₈₂Cl₃FN₁₂O₆ and a molecular weight of 1300.85 g/mol. Its IUPAC name is (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine.

Molecular Properties

• Compound Name: (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine
• PubChem CID: 159550556
• Molecular Formula: C₆₉H₈₂Cl₃FN₁₂O₆
• Molecular Weight: 1300.85 g/mol
• Exact Mass: 1298.55
• IUPAC Name: (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine
• SMILES: CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2(CCNC2)C1=O.CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@@]2(CCN(c3ccccn3)C2)C1=O.CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@]2(CCN(c3ccccn3)C2)C1=O.Fc1ccccn1
• InChI: InChI=1S/2C23H27ClN4O2.C18H24ClN3O2.C5H4FN/c2*1-16(2)27-14-21(29)28(17(3)18-7-9-19(24)10-8-18)23(22(27)30)11-13-26(15-23)20-6-4-5-12-25-20;1-12(2)21-10-16(23)22(18(17(21)24)8-9-20-11-18)13(3)14-4-6-15(19)7-5-14;6-5-3-1-2-4-7-5/h2*4-10,12,16-17H,11,13-15H2,1-3H3;4-7,12-13,20H,8-11H2,1-3H3;1-4H/t17-,23+;17-,23-;13-,18?;/m000./s1
• InChIKey: MFIIPQCVGPTMIG-UJBFCNPQSA-N
• XLogP: 10.48
• TPSA: 179.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1300.85
LogP ≤ 5	10.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine?

The IUPAC name of (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine (CID 159550556) is (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine.

What is the SMILES notation for (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine?

The canonical SMILES for (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine is CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)C2(CCNC2)C1=O.CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@@]2(CCN(c3ccccn3)C2)C1=O.CC(C)N1CC(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@]2(CCN(c3ccccn3)C2)C1=O.Fc1ccccn1.

What is the InChIKey of (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine?

The InChIKey is MFIIPQCVGPTMIG-UJBFCNPQSA-N. The full InChI is InChI=1S/2C23H27ClN4O2.C18H24ClN3O2.C5H4FN/c2*1-16(2)27-14-21(29)28(17(3)18-7-9-19(24)10-8-18)23(22(27)30)11-13-26(15-23)20-6-4-5-12-25-20;1-12(2)21-10-16(23)22(18(17(21)24)8-9-20-11-18)13(3)14-4-6-15(19)7-5-14;6-5-3-1-2-4-7-5/h2*4-10,12,16-17H,11,13-15H2,1-3H3;4-7,12-13,20H,8-11H2,1-3H3;1-4H/t17-,23+;17-,23-;13-,18?;/m000./s1.

What are the key properties of (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine?

(5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine has a molecular weight of 1300.85 g/mol, XLogP of 10.48, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;(5R)-6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2-pyridin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;6-[(1S)-1-(4-chlorophenyl)ethyl]-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione;2-fluoropyridine is sourced from PubChem (CID 159550556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159550556 — identifiers, structure, computed properties (public domain)

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