5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H21N5O3 — CID 125008686

IUPAC5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C18H21N5O3/c1-3-12-17(11(2)26-21-12)18(25)22-9-5-4-6-14(22)13-10-16(24)23-15(20-13)7-8-19-23/h7-8,10,14,19H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyZHWDBTWSJAKCGK-CQSZACIVSA-N
MW355.40 g/mol
LogP2.25
Rot. Bonds3

About 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 125008686) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID125008686
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C18H21N5O3/c1-3-12-17(11(2)26-21-12)18(25)22-9-5-4-6-14(22)13-10-16(24)23-15(20-13)7-8-19-23/h7-8,10,14,19H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyZHWDBTWSJAKCGK-CQSZACIVSA-N
XLogP2.25
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247313
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124945276
[(2S)-2-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 124949943
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008033
N-[[6-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124994748
5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132819
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-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
5-[(2S)-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124958911

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZHWDBTWSJAKCGK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-12-17(11(2)26-21-12)18(25)22-9-5-4-6-14(22)13-10-16(24)23-15(20-13)7-8-19-23/h7-8,10,14,19H,3-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 355.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 125008686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).