5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H18N4O2S — CID 110118481

IUPAC5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1csc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-8-14(24-10-11)17(23)20-7-3-2-4-13(20)12-9-16(22)21-15(19-12)5-6-18-21/h5-6,8-10,13,18H,2-4,7H2,1H3
InChIKeyYFNAKVWGIJEBNB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.76
Rot. Bonds2

About 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118481) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118481
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1csc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-8-14(24-10-11)17(23)20-7-3-2-4-13(20)12-9-16(22)21-15(19-12)5-6-18-21/h5-6,8-10,13,18H,2-4,7H2,1H3
InChIKeyYFNAKVWGIJEBNB-UHFFFAOYSA-N
XLogP2.76
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008686
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008033
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118335
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 90564655
[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554817
[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554818
5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124958911
N-[[6-[1-(4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094914
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 171687408
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118481) is 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1csc(C(=O)N2CCCCC2c2cc(=O)n3[nH]ccc3n2)c1.
What is the InChIKey of 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YFNAKVWGIJEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-8-14(24-10-11)17(23)20-7-3-2-4-13(20)12-9-16(22)21-15(19-12)5-6-18-21/h5-6,8-10,13,18H,2-4,7H2,1H3.
What are the key properties of 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).