1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H24FN5O2S — CID 122654040

IUPAC1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ncccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)ccc1F
InChIInChI=1S/C24H24FN5O2S/c1-16-19(3-2-6-26-16)20-13-17(4-5-21(20)25)30-15-18(14-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,18H,8-11,14-15H2,1H3
InChIKeyGGCIWFMTRKGCPU-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.22
Rot. Bonds4

About 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122654040) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122654040
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ncccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)ccc1F
InChIInChI=1S/C24H24FN5O2S/c1-16-19(3-2-6-26-16)20-13-17(4-5-21(20)25)30-15-18(14-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,18H,8-11,14-15H2,1H3
InChIKeyGGCIWFMTRKGCPU-UHFFFAOYSA-N
XLogP3.22
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122654040) is 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ncccc1-c1cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is GGCIWFMTRKGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-16-19(3-2-6-26-16)20-13-17(4-5-21(20)25)30-15-18(14-22(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,18H,8-11,14-15H2,1H3.
What are the key properties of 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 465.55 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122654040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).