[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C16H15F2N3O2 — CID 129372613

IUPAC[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1
InChIInChI=1S/C16H15F2N3O2/c1-9-6-20-14(7-19-9)16(23)21-8-11(22)5-15(21)12-4-10(17)2-3-13(12)18/h2-4,6-7,11,15,22H,5,8H2,1H3/t11-,15-/m0/s1
InChIKeyZLSGCYIYOGRJML-NHYWBVRUSA-N
MW319.31 g/mol
LogP2.01
Rot. Bonds2

About [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 129372613) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID129372613
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1
InChIInChI=1S/C16H15F2N3O2/c1-9-6-20-14(7-19-9)16(23)21-8-11(22)5-15(21)12-4-10(17)2-3-13(12)18/h2-4,6-7,11,15,22H,5,8H2,1H3/t11-,15-/m0/s1
InChIKeyZLSGCYIYOGRJML-NHYWBVRUSA-N
XLogP2.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 129372613) is [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cn1.
What is the InChIKey of [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZLSGCYIYOGRJML-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-9-6-20-14(7-19-9)16(23)21-8-11(22)5-15(21)12-4-10(17)2-3-13(12)18/h2-4,6-7,11,15,22H,5,8H2,1H3/t11-,15-/m0/s1.
What are the key properties of [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 319.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 129372613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).