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

C16H19N5OS — CID 137018627

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1
InChIInChI=1S/C16H19N5OS/c1-9-15(23-10(2)19-9)12-8-18-21-13(7-14(22)20-16(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyXMBRTUSJHHGAJB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.23
Rot. Bonds2

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

3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018627) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018627
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1
InChIInChI=1S/C16H19N5OS/c1-9-15(23-10(2)19-9)12-8-18-21-13(7-14(22)20-16(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyXMBRTUSJHHGAJB-UHFFFAOYSA-N
XLogP2.23
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018627) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nc(C)c(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is XMBRTUSJHHGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-9-15(23-10(2)19-9)12-8-18-21-13(7-14(22)20-16(12)21)11-3-5-17-6-4-11/h7-8,11,17H,3-6H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 329.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).