1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H23FN4O3 — CID 166630238

IUPAC1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)nc4)cc3)C2)CC1
InChIInChI=1S/C24H23FN4O3/c25-22-8-5-18(15-26-22)17-3-6-19(7-4-17)29-16-20(14-23(29)30)27-9-11-28(12-10-27)24(31)21-2-1-13-32-21/h1-8,13,15,20H,9-12,14,16H2
InChIKeyRZOWHGZTJFOGNU-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 166630238) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID166630238
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)nc4)cc3)C2)CC1
InChIInChI=1S/C24H23FN4O3/c25-22-8-5-18(15-26-22)17-3-6-19(7-4-17)29-16-20(14-23(29)30)27-9-11-28(12-10-27)24(31)21-2-1-13-32-21/h1-8,13,15,20H,9-12,14,16H2
InChIKeyRZOWHGZTJFOGNU-UHFFFAOYSA-N
XLogP3.04
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 166630238) is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1ccco1)N1CCN(C2CC(=O)N(c3ccc(-c4ccc(F)nc4)cc3)C2)CC1.
What is the InChIKey of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is RZOWHGZTJFOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-22-8-5-18(15-26-22)17-3-6-19(7-4-17)29-16-20(14-23(29)30)27-9-11-28(12-10-27)24(31)21-2-1-13-32-21/h1-8,13,15,20H,9-12,14,16H2.
What are the key properties of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 434.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 166630238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).