5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H12N6O2 — CID 70925576

IUPAC5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(-c3nnco3)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C19H12N6O2/c26-17-9-16(12-4-6-13(7-5-12)19-24-21-11-27-19)23-18-14(10-22-25(17)18)15-3-1-2-8-20-15/h1-11,22H
InChIKeyAUPVXLPXHJRUPJ-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.80
Rot. Bonds3

About 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925576) has the molecular formula C19H12N6O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925576
Molecular FormulaC19H12N6O2
Molecular Weight356.35 g/mol
Exact Mass356.10
IUPAC Name5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc(-c3nnco3)cc2)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C19H12N6O2/c26-17-9-16(12-4-6-13(7-5-12)19-24-21-11-27-19)23-18-14(10-22-25(17)18)15-3-1-2-8-20-15/h1-11,22H
InChIKeyAUPVXLPXHJRUPJ-UHFFFAOYSA-N
XLogP2.80
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-biphenyl-4-yl-1,3,4-oxadiazol-2-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 16189789
N-[2-(3-methylpyridin-2-yl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16190178
1-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-YL]-N-[(pyridin-2-YL)methyl]piperidine-4-carboxamide
CID 53201097
5-[4-(1,3-oxazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925459
US10953012, Example 255
CID 77955940
1-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-YL]-N-[(pyridin-3-YL)methyl]piperidine-4-carboxamide
CID 53166886
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-2-ylbutanamide
CID 71931489
Iridium;2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58240188
5-methyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557527
(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine
CID 155233502
5-[(Z)-1-amino-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]amino]ethenyl]pyridin-2-amine
CID 162722865
3-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-2-pyridin-2-ylpyrimidin-4-one
CID 178112039

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925576) is 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc(-c3nnco3)cc2)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AUPVXLPXHJRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O2/c26-17-9-16(12-4-6-13(7-5-12)19-24-21-11-27-19)23-18-14(10-22-25(17)18)15-3-1-2-8-20-15/h1-11,22H.
What are the key properties of 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 356.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).