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

C16H13N5O — CID 59723215

IUPAC2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cccnc4)c3)cc21
InChIInChI=1S/C16H13N5O/c22-16-15-9-14(20-21(15)7-6-19-16)11-3-5-18-13(8-11)12-2-1-4-17-10-12/h1-5,8-10H,6-7H2,(H,19,22)
InChIKeyWANSUZOLWHOHPF-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.75
Rot. Bonds2

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

2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723215) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723215
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4cccnc4)c3)cc21
InChIInChI=1S/C16H13N5O/c22-16-15-9-14(20-21(15)7-6-19-16)11-3-5-18-13(8-11)12-2-1-4-17-10-12/h1-5,8-10H,6-7H2,(H,19,22)
InChIKeyWANSUZOLWHOHPF-UHFFFAOYSA-N
XLogP1.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723215) is 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4cccnc4)c3)cc21.
What is the InChIKey of 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WANSUZOLWHOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16-15-9-14(20-21(15)7-6-19-16)11-3-5-18-13(8-11)12-2-1-4-17-10-12/h1-5,8-10H,6-7H2,(H,19,22).
What are the key properties of 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 291.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-4-pyridinyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).