(2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

C26H24ClFN4O2 — CID 58465932

About (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine

(2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (PubChem CID 58465932) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

Molecular Properties

• Compound Name: (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
• PubChem CID: 58465932
• Molecular Formula: C26H24ClFN4O2
• Molecular Weight: 478.96 g/mol
• Exact Mass: 478.16
• IUPAC Name: (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
• SMILES: NC1=N[C@]2(CO[C@H]1C1CCCCC1)c1cc(-c3cccnc3F)ccc1Oc1cnc(Cl)cc12
• InChI: InChI=1S/C26H24ClFN4O2/c27-22-12-19-21(13-31-22)34-20-9-8-16(17-7-4-10-30-24(17)28)11-18(20)26(19)14-33-23(25(29)32-26)15-5-2-1-3-6-15/h4,7-13,15,23H,1-3,5-6,14H2,(H2,29,32)/t23-,26+/m0/s1
• InChIKey: WWWPSRNMPSMUED-JYFHCDHNSA-N
• XLogP: 5.62
• TPSA: 82.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.96
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

The IUPAC name of (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine (CID 58465932) is (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine.

What is the SMILES notation for (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

The canonical SMILES for (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is NC1=N[C@]2(CO[C@H]1C1CCCCC1)c1cc(-c3cccnc3F)ccc1Oc1cnc(Cl)cc12.

What is the InChIKey of (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

The InChIKey is WWWPSRNMPSMUED-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c27-22-12-19-21(13-31-22)34-20-9-8-16(17-7-4-10-30-24(17)28)11-18(20)26(19)14-33-23(25(29)32-26)15-5-2-1-3-6-15/h4,7-13,15,23H,1-3,5-6,14H2,(H2,29,32)/t23-,26+/m0/s1.

What are the key properties of (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine?

(2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine has a molecular weight of 478.96 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-3'-chloro-2-cyclohexyl-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine is sourced from PubChem (CID 58465932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).