6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O — CID 132938296

IUPAC6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cc2ccccc2)cnc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,21H,10H2
InChIKeyZBZUSTBWYZAUON-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.68
Rot. Bonds3

About 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 132938296) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID132938296
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cc2ccccc2)cnc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,21H,10H2
InChIKeyZBZUSTBWYZAUON-UHFFFAOYSA-N
XLogP2.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
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CID 135463837
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 2351493
3-Methyl-4-phenyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 13590499
6-(4-fluorophenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811496
6-(4-methylphenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811840
(E)-2-(2-(pyridin-2-yl)vinyl)quinazolin-4(3H)-one
CID 135548602
DMT1 blocker 2
CID 25016113
N-[(4-fluorophenyl)methyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230665
2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 46182771
4-methyl-2-phenethyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 49836179

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 132938296) is 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(Cc2ccccc2)cnc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZBZUSTBWYZAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18-14(10-13-6-2-1-3-7-13)11-20-17-15(12-21-22(17)18)16-8-4-5-9-19-16/h1-9,11-12,21H,10H2.
What are the key properties of 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 302.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 132938296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).