[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

C25H24FN7O2 — CID 59471680

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)C1
InChIInChI=1S/C25H24FN7O2/c1-32(2)17-10-11-33(14-17)25(34)18-9-8-16(12-19(18)26)20-13-28-22(27)21(29-20)24-31-30-23(35-24)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3,(H2,27,28)/t17-/m1/s1
InChIKeyLJPLKBZRLICZMP-QGZVFWFLSA-N
MW473.51 g/mol
LogP3.36
Rot. Bonds5

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 59471680) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID59471680
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)C1
InChIInChI=1S/C25H24FN7O2/c1-32(2)17-10-11-33(14-17)25(34)18-9-8-16(12-19(18)26)20-13-28-22(27)21(29-20)24-31-30-23(35-24)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3,(H2,27,28)/t17-/m1/s1
InChIKeyLJPLKBZRLICZMP-QGZVFWFLSA-N
XLogP3.36
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 59471680) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2F)C1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is LJPLKBZRLICZMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-32(2)17-10-11-33(14-17)25(34)18-9-8-16(12-19(18)26)20-13-28-22(27)21(29-20)24-31-30-23(35-24)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11,14H2,1-2H3,(H2,27,28)/t17-/m1/s1.
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 473.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59471680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).