3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one

C24H22ClN3O5S2 — CID 137002563

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2c(O)ccn(CC(=O)c3ccco3)c2=O)cc1SCc1ccc(Cl)s1
InChIInChI=1S/C24H22ClN3O5S2/c1-24(2,3)23(32)28-20(34-13-14-6-7-19(25)35-14)11-15(26-28)21-16(29)8-9-27(22(21)31)12-17(30)18-5-4-10-33-18/h4-11,29H,12-13H2,1-3H3
InChIKeyQYEUTHPYMWWAIT-UHFFFAOYSA-N
MW532.04 g/mol
LogP5.59
Rot. Bonds7

About 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one (PubChem CID 137002563) has the molecular formula C24H22ClN3O5S2 and a molecular weight of 532.04 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one
PubChem CID137002563
Molecular FormulaC24H22ClN3O5S2
Molecular Weight532.04 g/mol
Exact Mass531.07
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2c(O)ccn(CC(=O)c3ccco3)c2=O)cc1SCc1ccc(Cl)s1
InChIInChI=1S/C24H22ClN3O5S2/c1-24(2,3)23(32)28-20(34-13-14-6-7-19(25)35-14)11-15(26-28)21-16(29)8-9-27(22(21)31)12-17(30)18-5-4-10-33-18/h4-11,29H,12-13H2,1-3H3
InChIKeyQYEUTHPYMWWAIT-UHFFFAOYSA-N
XLogP5.59
TPSA107.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.04
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-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 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one (CID 137002563) is 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one is CC(C)(C)C(=O)n1nc(-c2c(O)ccn(CC(=O)c3ccco3)c2=O)cc1SCc1ccc(Cl)s1.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one?
The InChIKey is QYEUTHPYMWWAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S2/c1-24(2,3)23(32)28-20(34-13-14-6-7-19(25)35-14)11-15(26-28)21-16(29)8-9-27(22(21)31)12-17(30)18-5-4-10-33-18/h4-11,29H,12-13H2,1-3H3.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one?
3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one has a molecular weight of 532.04 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-[2-(furan-2-yl)-2-oxoethyl]-4-hydroxypyridin-2-one is sourced from PubChem (CID 137002563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).