6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H28FN7O4 — CID 143159682

About 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 143159682) has the molecular formula C26H28FN7O4 and a molecular weight of 521.55 g/mol. Its IUPAC name is 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 143159682
• Molecular Formula: C26H28FN7O4
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.22
• IUPAC Name: 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CCN3CC4C(=NO)C4[C@H](CNCc4ccc5c(n4)NC(=O)CO5)C3)c2n1
• InChI: InChI=1S/C26H28FN7O4/c1-37-22-5-3-19-24(32-22)16(18(27)10-29-19)6-7-34-11-14(23-17(12-34)25(23)33-36)8-28-9-15-2-4-20-26(30-15)31-21(35)13-38-20/h2-5,10,14,17,23,28,36H,6-9,11-13H2,1H3,(H,30,31,35)/t14-,17?,23?/m1/s1
• InChIKey: VHNLWTOCAKHQMF-JZYQJFMBSA-N
• XLogP: 1.84
• TPSA: 134.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 143159682) is 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCN3CC4C(=NO)C4[C@H](CNCc4ccc5c(n4)NC(=O)CO5)C3)c2n1.

What is the InChIKey of 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is VHNLWTOCAKHQMF-JZYQJFMBSA-N. The full InChI is InChI=1S/C26H28FN7O4/c1-37-22-5-3-19-24(32-22)16(18(27)10-29-19)6-7-34-11-14(23-17(12-34)25(23)33-36)8-28-9-15-2-4-20-26(30-15)31-21(35)13-38-20/h2-5,10,14,17,23,28,36H,6-9,11-13H2,1H3,(H,30,31,35)/t14-,17?,23?/m1/s1.

What are the key properties of 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 521.55 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[(5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-7-hydroxyimino-3-azabicyclo[4.1.0]heptan-5-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 143159682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).