(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

C9H10BrFN4O — CID 126618333

IUPAC(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H10BrFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1
InChIKeyZXOXYCNMCPIUHI-RITPCOANSA-N
MW289.11 g/mol
LogP0.88
Rot. Bonds2

About (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 126618333) has the molecular formula C9H10BrFN4O and a molecular weight of 289.11 g/mol. Its IUPAC name is (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID126618333
Molecular FormulaC9H10BrFN4O
Molecular Weight289.11 g/mol
Exact Mass288.00
IUPAC Name(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cncc(Br)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C9H10BrFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1
InChIKeyZXOXYCNMCPIUHI-RITPCOANSA-N
XLogP0.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4,4-Difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68474354
4-Fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68476050
2-Fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68726679
Fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68726680
(2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126618416
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623323
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623415
tert-butyl (2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate
CID 126628223

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide (CID 126618333) is (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cncc(Br)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ZXOXYCNMCPIUHI-RITPCOANSA-N. The full InChI is InChI=1S/C9H10BrFN4O/c10-7-3-12-4-8(14-7)15-9(16)6-1-5(11)2-13-6/h3-6,13H,1-2H2,(H,14,15,16)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 289.11 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 126618333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).