2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

C22H22N4O3S — CID 56531961

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1
InChIInChI=1S/C22H22N4O3S/c1-14-19(15(2)26-20(23-14)12-21(27)24-26)11-22(28)25(13-18-5-4-10-30-18)16-6-8-17(29-3)9-7-16/h4-10,12H,11,13H2,1-3H3,(H,24,27)
InChIKeyYVGHUVFFIMRNIT-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.49
Rot. Bonds6

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 56531961) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID56531961
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1
InChIInChI=1S/C22H22N4O3S/c1-14-19(15(2)26-20(23-14)12-21(27)24-26)11-22(28)25(13-18-5-4-10-30-18)16-6-8-17(29-3)9-7-16/h4-10,12H,11,13H2,1-3H3,(H,24,27)
InChIKeyYVGHUVFFIMRNIT-UHFFFAOYSA-N
XLogP3.49
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 56576894
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 56532024
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 154803381
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
dimethyl 5-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 56531596
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8683482
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 56531961) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(Cc2cccs2)C(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YVGHUVFFIMRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-14-19(15(2)26-20(23-14)12-21(27)24-26)11-22(28)25(13-18-5-4-10-30-18)16-6-8-17(29-3)9-7-16/h4-10,12H,11,13H2,1-3H3,(H,24,27).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 56531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).