6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

C18H15FN6O2 — CID 146592038

About 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one

6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (PubChem CID 146592038) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
• PubChem CID: 146592038
• Molecular Formula: C18H15FN6O2
• Molecular Weight: 366.36 g/mol
• Exact Mass: 366.12
• IUPAC Name: 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
• SMILES: C[C@H](Oc1cc2ncc(F)cc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
• InChI: InChI=1S/C18H15FN6O2/c1-10(17-14(3-4-16(26)24-17)25-6-2-5-22-25)27-15-8-12-13(23-18(15)20)7-11(19)9-21-12/h2-10H,1H3,(H2,20,23)(H,24,26)/t10-/m0/s1
• InChIKey: QEYSIEWHABHXDM-JTQLQIEISA-N
• XLogP: 2.37
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.36
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?

The IUPAC name of 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one (CID 146592038) is 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one.

What is the SMILES notation for 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?

The canonical SMILES for 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is C[C@H](Oc1cc2ncc(F)cc2nc1N)c1[nH]c(=O)ccc1-n1cccn1.

What is the InChIKey of 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?

The InChIKey is QEYSIEWHABHXDM-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-10(17-14(3-4-16(26)24-17)25-6-2-5-22-25)27-15-8-12-13(23-18(15)20)7-11(19)9-21-12/h2-10H,1H3,(H2,20,23)(H,24,26)/t10-/m0/s1.

What are the key properties of 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one?

6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one has a molecular weight of 366.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-[(2-amino-7-fluoro-1,5-naphthyridin-3-yl)oxy]ethyl]-5-pyrazol-1-yl-1H-pyridin-2-one is sourced from PubChem (CID 146592038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).