5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C18H17FN8O — CID 174279678

About 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 174279678) has the molecular formula C18H17FN8O and a molecular weight of 380.39 g/mol. Its IUPAC name is 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 174279678
• Molecular Formula: C18H17FN8O
• Molecular Weight: 380.39 g/mol
• Exact Mass: 380.15
• IUPAC Name: 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: Cc1ncc(O[C@@H]2CC[C@@H]2N)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F
• InChI: InChI=1S/C18H17FN8O/c1-9-18(19)17(14(7-22-9)28-13-3-2-11(13)21)12-4-15(27-26-12)25-16-8-23-10(5-20)6-24-16/h4,6-8,11,13H,2-3,21H2,1H3,(H2,24,25,26,27)/t11-,13+/m0/s1
• InChIKey: ZVYOIUOONPRYKK-WCQYABFASA-N
• XLogP: 2.19
• TPSA: 138.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.39
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 174279678) is 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is Cc1ncc(O[C@@H]2CC[C@@H]2N)c(-c2cc(Nc3cnc(C#N)cn3)n[nH]2)c1F.

What is the InChIKey of 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is ZVYOIUOONPRYKK-WCQYABFASA-N. The full InChI is InChI=1S/C18H17FN8O/c1-9-18(19)17(14(7-22-9)28-13-3-2-11(13)21)12-4-15(27-26-12)25-16-8-23-10(5-20)6-24-16/h4,6-8,11,13H,2-3,21H2,1H3,(H2,24,25,26,27)/t11-,13+/m0/s1.

What are the key properties of 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 380.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[5-[(1R,2S)-2-aminocyclobutyl]oxy-3-fluoro-2-methyl-4-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 174279678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).