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

C28H16F2N6O2 — CID 66728186

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

7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine (PubChem CID 66728186) has the molecular formula C28H16F2N6O2 and a molecular weight of 506.47 g/mol. Its IUPAC name is 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine.

Molecular Properties

• Compound Name: 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine
• PubChem CID: 66728186
• Molecular Formula: C28H16F2N6O2
• Molecular Weight: 506.47 g/mol
• Exact Mass: 506.13
• IUPAC Name: 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine
• SMILES: NC1=Nc2ncccc2C2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(-c3ccnc(F)c3)cc12
• InChI: InChI=1S/C28H16F2N6O2/c29-24-12-16(7-10-32-24)21-13-20-23(14-35-21)37-22-6-5-15(17-3-1-8-33-25(17)30)11-19(22)28(20)18-4-2-9-34-26(18)36-27(31)38-28/h1-14H,(H2,31,34,36)
• InChIKey: HSMDGUMETLCXOO-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 108.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.47
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine (CID 66728186) is 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine.

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

The canonical SMILES for 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine is NC1=Nc2ncccc2C2(O1)c1cc(-c3cccnc3F)ccc1Oc1cnc(-c3ccnc(F)c3)cc12.

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

The InChIKey is HSMDGUMETLCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F2N6O2/c29-24-12-16(7-10-32-24)21-13-20-23(14-35-21)37-22-6-5-15(17-3-1-8-33-25(17)30)11-19(22)28(20)18-4-2-9-34-26(18)36-27(31)38-28/h1-14H,(H2,31,34,36).

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

7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine has a molecular weight of 506.47 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,4'-pyrido[2,3-d][1,3]oxazine]-2'-amine is sourced from PubChem (CID 66728186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).