6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H27FN6O4 — CID 59130269

About 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 59130269) has the molecular formula C25H27FN6O4 and a molecular weight of 494.53 g/mol. Its IUPAC name is 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 59130269
• Molecular Formula: C25H27FN6O4
• Molecular Weight: 494.53 g/mol
• Exact Mass: 494.21
• IUPAC Name: 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)NC(=O)CO6)[C@@H](C3)O4)c2n1
• InChI: InChI=1S/C25H27FN6O4/c1-34-23-5-3-18-24(31-23)16(17(26)10-28-18)6-7-32-11-15-8-19(21(12-32)36-15)27-9-14-2-4-20-25(29-14)30-22(33)13-35-20/h2-5,10,15,19,21,27H,6-9,11-13H2,1H3,(H,29,30,33)/t15-,19?,21-/m1/s1
• InChIKey: WAIIQGBZPHILQX-RGWUMTFWSA-N
• XLogP: 1.68
• TPSA: 110.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.53
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 59130269) is 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(CCN3C[C@H]4CC(NCc5ccc6c(n5)NC(=O)CO6)[C@@H](C3)O4)c2n1.

What is the InChIKey of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is WAIIQGBZPHILQX-RGWUMTFWSA-N. The full InChI is InChI=1S/C25H27FN6O4/c1-34-23-5-3-18-24(31-23)16(17(26)10-28-18)6-7-32-11-15-8-19(21(12-32)36-15)27-9-14-2-4-20-25(29-14)30-22(33)13-35-20/h2-5,10,15,19,21,27H,6-9,11-13H2,1H3,(H,29,30,33)/t15-,19?,21-/m1/s1.

What are the key properties of 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 494.53 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[(1R,5R)-3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 59130269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).