N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide

C23H23N5O4S — CID 136605341

IUPACN-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2OC)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-4-15-14(2)24-23(26-22(15)30)28-20(12-16(27-28)19-10-7-11-33-19)25-21(29)13-32-18-9-6-5-8-17(18)31-3/h5-12H,4,13H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyVCDUPHWKLCAHQP-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.58
Rot. Bonds8

About N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 136605341) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID136605341
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2OC)[nH]c1=O
InChIInChI=1S/C23H23N5O4S/c1-4-15-14(2)24-23(26-22(15)30)28-20(12-16(27-28)19-10-7-11-33-19)25-21(29)13-32-18-9-6-5-8-17(18)31-3/h5-12H,4,13H2,1-3H3,(H,25,29)(H,24,26,30)
InChIKeyVCDUPHWKLCAHQP-UHFFFAOYSA-N
XLogP3.58
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 136605353
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 136605362
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136605629
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-fluorophenoxy)acetamide
CID 136605635
2-(3,4-dimethoxyphenyl)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 135881093
(Z)-N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3-phenylprop-2-enamide
CID 136605331
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 136605211
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 136605545
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 136605677
ethyl 4-[[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]-4-oxobutanoate
CID 136605681
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,4-diethoxybenzamide
CID 136605584
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136604928

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide (CID 136605341) is N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide is CCc1c(C)nc(-n2nc(-c3cccs3)cc2NC(=O)COc2ccccc2OC)[nH]c1=O.
What is the InChIKey of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VCDUPHWKLCAHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-4-15-14(2)24-23(26-22(15)30)28-20(12-16(27-28)19-10-7-11-33-19)25-21(29)13-32-18-9-6-5-8-17(18)31-3/h5-12H,4,13H2,1-3H3,(H,25,29)(H,24,26,30).
What are the key properties of N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 465.54 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 136605341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).