1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C19H20FN5O2 — CID 148771376

About 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 148771376) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• PubChem CID: 148771376
• Molecular Formula: C19H20FN5O2
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.16
• IUPAC Name: 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• SMILES: Cc1ncc(-c2cc3cc(CC(=O)N4CC[C@H](N)[C@@H](F)C4)ncc3cn2)o1
• InChI: InChI=1S/C19H20FN5O2/c1-11-22-9-18(27-11)17-5-12-4-14(23-7-13(12)8-24-17)6-19(26)25-3-2-16(21)15(20)10-25/h4-5,7-9,15-16H,2-3,6,10,21H2,1H3/t15-,16-/m0/s1
• InChIKey: OILZUIFQQGZNFI-HOTGVXAUSA-N
• XLogP: 2.03
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The IUPAC name of 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 148771376) is 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

What is the SMILES notation for 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The canonical SMILES for 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is Cc1ncc(-c2cc3cc(CC(=O)N4CC[C@H](N)[C@@H](F)C4)ncc3cn2)o1.

What is the InChIKey of 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The InChIKey is OILZUIFQQGZNFI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-11-22-9-18(27-11)17-5-12-4-14(23-7-13(12)8-24-17)6-19(26)25-3-2-16(21)15(20)10-25/h4-5,7-9,15-16H,2-3,6,10,21H2,1H3/t15-,16-/m0/s1.

What are the key properties of 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 369.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S,4S)-4-amino-3-fluoropiperidin-1-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 148771376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).