1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H24FN5O2S — CID 122653979

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

About 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653979) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122653979
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ncccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C24H24FN5O2S/c1-16-21(3-2-4-26-16)17-11-18(25)13-19(12-17)30-15-20(14-22(30)31)28-6-8-29(9-7-28)24(32)23-27-5-10-33-23/h2-5,10-13,20H,6-9,14-15H2,1H3
InChIKeyBNHZQIKQIGWSQA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653979) is 1-[3-fluoro-5-(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-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ncccc1-c1cc(F)cc(N2CC(N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1.
What is the InChIKey of 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is BNHZQIKQIGWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-16-21(3-2-4-26-16)17-11-18(25)13-19(12-17)30-15-20(14-22(30)31)28-6-8-29(9-7-28)24(32)23-27-5-10-33-23/h2-5,10-13,20H,6-9,14-15H2,1H3.
What are the key properties of 1-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[3-fluoro-5-(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-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).