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

C18H16N4O — CID 155566645

IUPACphenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C18H16N4O/c23-18(14-5-2-1-3-6-14)21-9-10-22-16(13-21)11-17(20-22)15-7-4-8-19-12-15/h1-8,11-12H,9-10,13H2
InChIKeyOFIGKYAGTWBUNH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.60
Rot. Bonds2

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

phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 155566645) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID155566645
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Namephenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1ccccc1)N1CCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C18H16N4O/c23-18(14-5-2-1-3-6-14)21-9-10-22-16(13-21)11-17(20-22)15-7-4-8-19-12-15/h1-8,11-12H,9-10,13H2
InChIKeyOFIGKYAGTWBUNH-UHFFFAOYSA-N
XLogP2.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 155566645) is phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is O=C(c1ccccc1)N1CCn2nc(-c3cccnc3)cc2C1.
What is the InChIKey of phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is OFIGKYAGTWBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(14-5-2-1-3-6-14)21-9-10-22-16(13-21)11-17(20-22)15-7-4-8-19-12-15/h1-8,11-12H,9-10,13H2.
What are the key properties of phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 304.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 155566645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).