5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H21N5O2S — CID 110216100

IUPAC5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ncsc1C(=O)N1CCCCC1c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C18H21N5O2S/c1-10-11(2)20-15-8-13(21-23(15)17(10)24)14-6-4-5-7-22(14)18(25)16-12(3)19-9-26-16/h8-9,14,21H,4-7H2,1-3H3
InChIKeyORSUOHQJVCLURR-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.77
Rot. Bonds2

About 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216100) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216100
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ncsc1C(=O)N1CCCCC1c1cc2nc(C)c(C)c(=O)n2[nH]1
InChIInChI=1S/C18H21N5O2S/c1-10-11(2)20-15-8-13(21-23(15)17(10)24)14-6-4-5-7-22(14)18(25)16-12(3)19-9-26-16/h8-9,14,21H,4-7H2,1-3H3
InChIKeyORSUOHQJVCLURR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216100) is 5,6-dimethyl-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 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ncsc1C(=O)N1CCCCC1c1cc2nc(C)c(C)c(=O)n2[nH]1.
What is the InChIKey of 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ORSUOHQJVCLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-11(2)20-15-8-13(21-23(15)17(10)24)14-6-4-5-7-22(14)18(25)16-12(3)19-9-26-16/h8-9,14,21H,4-7H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-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 371.47 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-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 110216100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).