2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C15H12N4OS — CID 59723171

IUPAC2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccsc4)c3)cc21
InChIInChI=1S/C15H12N4OS/c20-15-14-8-13(18-19(14)5-4-17-15)10-1-3-16-12(7-10)11-2-6-21-9-11/h1-3,6-9H,4-5H2,(H,17,20)
InChIKeyGIZRYDIZPUFDTL-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.42
Rot. Bonds2

About 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723171) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723171
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccsc4)c3)cc21
InChIInChI=1S/C15H12N4OS/c20-15-14-8-13(18-19(14)5-4-17-15)10-1-3-16-12(7-10)11-2-6-21-9-11/h1-3,6-9H,4-5H2,(H,17,20)
InChIKeyGIZRYDIZPUFDTL-UHFFFAOYSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723171) is 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccsc4)c3)cc21.
What is the InChIKey of 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GIZRYDIZPUFDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-15-14-8-13(18-19(14)5-4-17-15)10-1-3-16-12(7-10)11-2-6-21-9-11/h1-3,6-9H,4-5H2,(H,17,20).
What are the key properties of 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 296.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).