1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one

C20H17FN4O — CID 90314019

IUPAC1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one
SMILESNc1cnc(-c2ccc(-c3ccccc3N3CCCC3=O)cc2F)cn1
InChIInChI=1S/C20H17FN4O/c21-16-10-13(7-8-15(16)17-11-24-19(22)12-23-17)14-4-1-2-5-18(14)25-9-3-6-20(25)26/h1-2,4-5,7-8,10-12H,3,6,9H2,(H2,22,24)
InChIKeyLMZPOUUBSVKRLS-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.66
Rot. Bonds3

About 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one

1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one (PubChem CID 90314019) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one
PubChem CID90314019
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one
SMILESNc1cnc(-c2ccc(-c3ccccc3N3CCCC3=O)cc2F)cn1
InChIInChI=1S/C20H17FN4O/c21-16-10-13(7-8-15(16)17-11-24-19(22)12-23-17)14-4-1-2-5-18(14)25-9-3-6-20(25)26/h1-2,4-5,7-8,10-12H,3,6,9H2,(H2,22,24)
InChIKeyLMZPOUUBSVKRLS-UHFFFAOYSA-N
XLogP3.66
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one (CID 90314019) is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one is Nc1cnc(-c2ccc(-c3ccccc3N3CCCC3=O)cc2F)cn1.
What is the InChIKey of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one?
The InChIKey is LMZPOUUBSVKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-10-13(7-8-15(16)17-11-24-19(22)12-23-17)14-4-1-2-5-18(14)25-9-3-6-20(25)26/h1-2,4-5,7-8,10-12H,3,6,9H2,(H2,22,24).
What are the key properties of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one?
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one has a molecular weight of 348.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 90314019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).