[(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C24H24FN7O2 — CID 118020622

About [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118020622) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 118020622
• Molecular Formula: C24H24FN7O2
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.20
• IUPAC Name: [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
• SMILES: Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C)CO[C@H]2Cn2cc(-c3ccc(F)cn3)cn2)c1
• InChI: InChI=1S/C24H24FN7O2/c1-16-3-6-22(32-27-7-8-28-32)20(9-16)24(33)31-12-17(2)15-34-23(31)14-30-13-18(10-29-30)21-5-4-19(25)11-26-21/h3-11,13,17,23H,12,14-15H2,1-2H3/t17-,23-/m0/s1
• InChIKey: MPEBTPDHFLWMMX-SBUREZEXSA-N
• XLogP: 3.11
• TPSA: 90.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.50
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118020622) is [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C)CO[C@H]2Cn2cc(-c3ccc(F)cn3)cn2)c1.

What is the InChIKey of [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

The InChIKey is MPEBTPDHFLWMMX-SBUREZEXSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-16-3-6-22(32-27-7-8-28-32)20(9-16)24(33)31-12-17(2)15-34-23(31)14-30-13-18(10-29-30)21-5-4-19(25)11-26-21/h3-11,13,17,23H,12,14-15H2,1-2H3/t17-,23-/m0/s1.

What are the key properties of [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?

[(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 461.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,5S)-2-[[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118020622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).