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

C18H21N5O2S — CID 98061474

IUPAC2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1
InChIInChI=1S/C18H21N5O2S/c1-10-8-16(24)23-15(19-10)9-14(21-23)13-4-6-22(7-5-13)18(25)17-11(2)20-12(3)26-17/h8-9,13,21H,4-7H2,1-3H3
InChIKeyUFJXMDHTXAEETJ-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.42
Rot. Bonds2

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

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98061474) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98061474
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1
InChIInChI=1S/C18H21N5O2S/c1-10-8-16(24)23-15(19-10)9-14(21-23)13-4-6-22(7-5-13)18(25)17-11(2)20-12(3)26-17/h8-9,13,21H,4-7H2,1-3H3
InChIKeyUFJXMDHTXAEETJ-UHFFFAOYSA-N
XLogP2.42
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061478
1-ethyl-7-methyl-3-[4-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 46952858
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237977
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 91816578
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017568
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53003960
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237974
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCN(C(=O)c4sc(C)nc4C)CC3)cc2n1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UFJXMDHTXAEETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-8-16(24)23-15(19-10)9-14(21-23)13-4-6-22(7-5-13)18(25)17-11(2)20-12(3)26-17/h8-9,13,21H,4-7H2,1-3H3.
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 371.47 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98061474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).