(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide

C14H20BrFN4O — CID 175857422

IUPAC(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)(C)N1C[C@](C)(F)C[C@H]1C(=O)Nc1cncc(Br)n1
InChIInChI=1S/C14H20BrFN4O/c1-13(2,3)20-8-14(4,16)5-9(20)12(21)19-11-7-17-6-10(15)18-11/h6-7,9H,5,8H2,1-4H3,(H,18,19,21)/t9-,14+/m0/s1
InChIKeyQDEUDWMREVTTEB-LKFCYVNXSA-N
MW359.24 g/mol
LogP2.78
Rot. Bonds2

About (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide

(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide (PubChem CID 175857422) has the molecular formula C14H20BrFN4O and a molecular weight of 359.24 g/mol. Its IUPAC name is (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide
PubChem CID175857422
Molecular FormulaC14H20BrFN4O
Molecular Weight359.24 g/mol
Exact Mass358.08
IUPAC Name(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide
SMILESCC(C)(C)N1C[C@](C)(F)C[C@H]1C(=O)Nc1cncc(Br)n1
InChIInChI=1S/C14H20BrFN4O/c1-13(2,3)20-8-14(4,16)5-9(20)12(21)19-11-7-17-6-10(15)18-11/h6-7,9H,5,8H2,1-4H3,(H,18,19,21)/t9-,14+/m0/s1
InChIKeyQDEUDWMREVTTEB-LKFCYVNXSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide (CID 175857422) is (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide is CC(C)(C)N1C[C@](C)(F)C[C@H]1C(=O)Nc1cncc(Br)n1.
What is the InChIKey of (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide?
The InChIKey is QDEUDWMREVTTEB-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H20BrFN4O/c1-13(2,3)20-8-14(4,16)5-9(20)12(21)19-11-7-17-6-10(15)18-11/h6-7,9H,5,8H2,1-4H3,(H,18,19,21)/t9-,14+/m0/s1.
What are the key properties of (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide?
(2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-bromopyrazin-2-yl)-1-tert-butyl-4-fluoro-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175857422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).