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

C17H19N5O2S — CID 110216039

IUPAC5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCN3C(=O)c3scnc3C)cc2n1
InChIInChI=1S/C17H19N5O2S/c1-10-7-15(23)22-14(19-10)8-12(20-22)13-5-3-4-6-21(13)17(24)16-11(2)18-9-25-16/h7-9,13,20H,3-6H2,1-2H3
InChIKeyWOCMDVFGMJPNDI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.46
Rot. Bonds2

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

5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216039) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216039
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCCN3C(=O)c3scnc3C)cc2n1
InChIInChI=1S/C17H19N5O2S/c1-10-7-15(23)22-14(19-10)8-12(20-22)13-5-3-4-6-21(13)17(24)16-11(2)18-9-25-16/h7-9,13,20H,3-6H2,1-2H3
InChIKeyWOCMDVFGMJPNDI-UHFFFAOYSA-N
XLogP2.46
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214767
5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 98061913
5-methyl-2-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215318
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95832696
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061474
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
5-methyl-2-[(2R)-1-(5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92553378

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216039) is 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCCN3C(=O)c3scnc3C)cc2n1.
What is the InChIKey of 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WOCMDVFGMJPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-10-7-15(23)22-14(19-10)8-12(20-22)13-5-3-4-6-21(13)17(24)16-11(2)18-9-25-16/h7-9,13,20H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).