7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C15H16N4OS — CID 137018450

IUPAC7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,17,20)
InChIKeyCUUJINITHZLVOQ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.22
Rot. Bonds2

About 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018450) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018450
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,17,20)
InChIKeyCUUJINITHZLVOQ-UHFFFAOYSA-N
XLogP2.22
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
1-[5-[(5-Chlorothiophen-2-yl)methylamino]-3-piperidin-4-ylpyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 122508970
1-[5-[(5-Chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 154029252
1-[5-[(5-Chlorothiophen-2-yl)methylamino]-3-piperidin-3-ylpyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 154029257
US10118930, Example 59
CID 137018249
US10118930, Example 66
CID 137018486
US10118930, Example 68
CID 137018655
Pyrazolo(1,5-a)pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-
CID 3073476
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418906

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018450) is 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2nc(-c3cccs3)cc2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CUUJINITHZLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-15-9-12(10-3-5-16-6-4-10)19-14(17-15)8-11(18-19)13-2-1-7-21-13/h1-2,7-10,16H,3-6H2,(H,17,20).
What are the key properties of 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 300.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-2-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).