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

C14H11N5OS — CID 59722799

IUPAC2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4nccs4)c3)cc21
InChIInChI=1S/C14H11N5OS/c20-13-12-8-10(18-19(12)5-3-16-13)9-1-2-15-11(7-9)14-17-4-6-21-14/h1-2,4,6-8H,3,5H2,(H,16,20)
InChIKeyPCHXSVXRUUPTNC-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.81
Rot. Bonds2

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

2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722799) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722799
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4nccs4)c3)cc21
InChIInChI=1S/C14H11N5OS/c20-13-12-8-10(18-19(12)5-3-16-13)9-1-2-15-11(7-9)14-17-4-6-21-14/h1-2,4,6-8H,3,5H2,(H,16,20)
InChIKeyPCHXSVXRUUPTNC-UHFFFAOYSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722799) is 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4nccs4)c3)cc21.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PCHXSVXRUUPTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-13-12-8-10(18-19(12)5-3-16-13)9-1-2-15-11(7-9)14-17-4-6-21-14/h1-2,4,6-8H,3,5H2,(H,16,20).
What are the key properties of 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 297.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).