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

C16H18N4OS — CID 137018486

IUPAC3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1
InChIInChI=1S/C16H18N4OS/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11/h6-9,11,17H,2-5H2,1H3,(H,19,21)
InChIKeyGJYZNNPHVASOEL-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.53
Rot. Bonds2

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

3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018486) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018486
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1
InChIInChI=1S/C16H18N4OS/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11/h6-9,11,17H,2-5H2,1H3,(H,19,21)
InChIKeyGJYZNNPHVASOEL-UHFFFAOYSA-N
XLogP2.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018486) is 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1csc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)c1.
What is the InChIKey of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GJYZNNPHVASOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-10-6-14(22-9-10)12-8-18-20-13(7-15(21)19-16(12)20)11-2-4-17-5-3-11/h6-9,11,17H,2-5H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 314.41 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiophen-2-yl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).