5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H20N4O2S — CID 125008033

IUPAC5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(CCc1cccs1)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C18H20N4O2S/c23-17(7-6-13-4-3-11-25-13)21-10-2-1-5-15(21)14-12-18(24)22-16(20-14)8-9-19-22/h3-4,8-9,11-12,15,19H,1-2,5-7,10H2/t15-/m1/s1
InChIKeyCDKHGKYRMLXFAU-OAHLLOKOSA-N
MW356.45 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 125008033) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID125008033
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(CCc1cccs1)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C18H20N4O2S/c23-17(7-6-13-4-3-11-25-13)21-10-2-1-5-15(21)14-12-18(24)22-16(20-14)8-9-19-22/h3-4,8-9,11-12,15,19H,1-2,5-7,10H2/t15-/m1/s1
InChIKeyCDKHGKYRMLXFAU-OAHLLOKOSA-N
XLogP2.77
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-methylthiophene-2-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118481
6-[(2S)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124985560
N-[[6-[(2R)-1-(3-thiophen-2-ylpropanoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124963053
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-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124958911
1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110124472
1-[2-(1-aminoethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119435747
1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 124970271
5-[3-oxo-3-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
CID 70743338
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132729
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 125008033) is 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(CCc1cccs1)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CDKHGKYRMLXFAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(7-6-13-4-3-11-25-13)21-10-2-1-5-15(21)14-12-18(24)22-16(20-14)8-9-19-22/h3-4,8-9,11-12,15,19H,1-2,5-7,10H2/t15-/m1/s1.
What are the key properties of 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 356.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125008033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).