(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine

C49H36BrCl3F2N10O6 — CID 160927778

About (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine

(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine (PubChem CID 160927778) has the molecular formula C49H36BrCl3F2N10O6 and a molecular weight of 1085.15 g/mol. Its IUPAC name is (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine.

Molecular Properties

• Compound Name: (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine
• PubChem CID: 160927778
• Molecular Formula: C49H36BrCl3F2N10O6
• Molecular Weight: 1085.15 g/mol
• Exact Mass: 1082.10
• IUPAC Name: (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine
• SMILES: COc1cnc2c(Cc3ccc4c(c3)[C@@]3(CCOC(N)=N3)c3cc(Cl)nc(F)c3O4)nccc2c1.COc1cnc2c(Cl)nccc2c1.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F
• InChI: InChI=1S/C25H19ClFN5O3.C15H10BrClFN3O2.C9H7ClN2O/c1-33-15-10-14-4-6-29-18(21(14)30-12-15)9-13-2-3-19-16(8-13)25(5-7-34-24(28)32-25)17-11-20(26)31-23(27)22(17)35-19;16-7-1-2-10-8(5-7)15(3-4-22-14(19)21-15)9-6-11(17)20-13(18)12(9)23-10;1-13-7-4-6-2-3-11-9(10)8(6)12-5-7/h2-4,6,8,10-12H,5,7,9H2,1H3,(H2,28,32);1-2,5-6H,3-4H2,(H2,19,21);2-5H,1H3/t25-;15-;/m00./s1
• InChIKey: SSWDQMGIBWVJID-NFEHYGMGSA-N
• XLogP: 10.51
• TPSA: 209.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.15
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine?

The IUPAC name of (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine (CID 160927778) is (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine.

What is the SMILES notation for (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine?

The canonical SMILES for (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine is COc1cnc2c(Cc3ccc4c(c3)[C@@]3(CCOC(N)=N3)c3cc(Cl)nc(F)c3O4)nccc2c1.COc1cnc2c(Cl)nccc2c1.NC1=N[C@@]2(CCO1)c1cc(Br)ccc1Oc1c2cc(Cl)nc1F.

What is the InChIKey of (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine?

The InChIKey is SSWDQMGIBWVJID-NFEHYGMGSA-N. The full InChI is InChI=1S/C25H19ClFN5O3.C15H10BrClFN3O2.C9H7ClN2O/c1-33-15-10-14-4-6-29-18(21(14)30-12-15)9-13-2-3-19-16(8-13)25(5-7-34-24(28)32-25)17-11-20(26)31-23(27)22(17)35-19;16-7-1-2-10-8(5-7)15(3-4-22-14(19)21-15)9-6-11(17)20-13(18)12(9)23-10;1-13-7-4-6-2-3-11-9(10)8(6)12-5-7/h2-4,6,8,10-12H,5,7,9H2,1H3,(H2,28,32);1-2,5-6H,3-4H2,(H2,19,21);2-5H,1H3/t25-;15-;/m00./s1.

What are the key properties of (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine?

(4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine has a molecular weight of 1085.15 g/mol, XLogP of 10.51, 4 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-7'-bromo-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;(4S)-3'-chloro-1'-fluoro-7'-[(3-methoxy-1,7-naphthyridin-8-yl)methyl]spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-2-amine;8-chloro-3-methoxy-1,7-naphthyridine is sourced from PubChem (CID 160927778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).