tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate

C15H18BrFN4O2 — CID 171813901

IUPACtert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1c1cn2cc(Br)ncc2n1
InChIInChI=1S/C15H18BrFN4O2/c1-15(2,3)23-14(22)21-6-9(17)4-11(21)10-7-20-8-12(16)18-5-13(20)19-10/h5,7-9,11H,4,6H2,1-3H3/t9-,11-/m1/s1
InChIKeyYOXVAQDCBDVDBX-MWLCHTKSSA-N
MW385.24 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate (PubChem CID 171813901) has the molecular formula C15H18BrFN4O2 and a molecular weight of 385.24 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
PubChem CID171813901
Molecular FormulaC15H18BrFN4O2
Molecular Weight385.24 g/mol
Exact Mass384.06
IUPAC Nametert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1c1cn2cc(Br)ncc2n1
InChIInChI=1S/C15H18BrFN4O2/c1-15(2,3)23-14(22)21-6-9(17)4-11(21)10-7-20-8-12(16)18-5-13(20)19-10/h5,7-9,11H,4,6H2,1-3H3/t9-,11-/m1/s1
InChIKeyYOXVAQDCBDVDBX-MWLCHTKSSA-N
XLogP3.51
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate (CID 171813901) is tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1c1cn2cc(Br)ncc2n1.
What is the InChIKey of tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate?
The InChIKey is YOXVAQDCBDVDBX-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18BrFN4O2/c1-15(2,3)23-14(22)21-6-9(17)4-11(21)10-7-20-8-12(16)18-5-13(20)19-10/h5,7-9,11H,4,6H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 385.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 171813901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).