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

C25H17F2N5O2 — CID 67383193

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

(6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 67383193) has the molecular formula C25H17F2N5O2 and a molecular weight of 457.44 g/mol. Its IUPAC name is (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

• Compound Name: (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
• PubChem CID: 67383193
• Molecular Formula: C25H17F2N5O2
• Molecular Weight: 457.44 g/mol
• Exact Mass: 457.14
• IUPAC Name: (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
• SMILES: NC1=NCC[C@]2(O1)c1cc(-c3cncc(F)c3)ccc1Oc1cnc(-c3ccnc(F)c3)cc12
• InChI: InChI=1S/C25H17F2N5O2/c26-17-7-16(11-29-12-17)14-1-2-21-18(8-14)25(4-6-31-24(28)34-25)19-10-20(32-13-22(19)33-21)15-3-5-30-23(27)9-15/h1-3,5,7-13H,4,6H2,(H2,28,31)/t25-/m0/s1
• InChIKey: VGIFOXNDMXOCLN-VWLOTQADSA-N
• XLogP: 4.57
• TPSA: 95.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.44
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine (CID 67383193) is (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine.

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

The canonical SMILES for (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is NC1=NCC[C@]2(O1)c1cc(-c3cncc(F)c3)ccc1Oc1cnc(-c3ccnc(F)c3)cc12.

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

The InChIKey is VGIFOXNDMXOCLN-VWLOTQADSA-N. The full InChI is InChI=1S/C25H17F2N5O2/c26-17-7-16(11-29-12-17)14-1-2-21-18(8-14)25(4-6-31-24(28)34-25)19-10-20(32-13-22(19)33-21)15-3-5-30-23(27)9-15/h1-3,5,7-13H,4,6H2,(H2,28,31)/t25-/m0/s1.

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

(6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 457.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3'-(2-fluoro-4-pyridinyl)-7'-(5-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 67383193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).