1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one

C19H20ClFN4O2 — CID 129031025

IUPAC1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN4O2/c20-15-3-1-13(11-16(15)21)25-6-5-17(19(25)27)23-7-9-24(10-8-23)18-4-2-14(26)12-22-18/h1-4,11-12,17,26H,5-10H2
InChIKeyLQLGCOUCRBLBQB-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one

1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 129031025) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID129031025
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H20ClFN4O2/c20-15-3-1-13(11-16(15)21)25-6-5-17(19(25)27)23-7-9-24(10-8-23)18-4-2-14(26)12-22-18/h1-4,11-12,17,26H,5-10H2
InChIKeyLQLGCOUCRBLBQB-UHFFFAOYSA-N
XLogP2.51
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (CID 129031025) is 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is O=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is LQLGCOUCRBLBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c20-15-3-1-13(11-16(15)21)25-6-5-17(19(25)27)23-7-9-24(10-8-23)18-4-2-14(26)12-22-18/h1-4,11-12,17,26H,5-10H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 390.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 129031025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).