2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H16N6O2 — CID 159682569

IUPAC2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C21H16N6O2/c1-12-17(20-25-24-19(29-20)15-9-6-10-22-11-15)21(28)27-18(23-12)16(13(2)26-27)14-7-4-3-5-8-14/h3-11,26H,1-2H3
InChIKeyHCFIJHMPFFSVFK-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.42
Rot. Bonds3

About 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 159682569) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID159682569
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C21H16N6O2/c1-12-17(20-25-24-19(29-20)15-9-6-10-22-11-15)21(28)27-18(23-12)16(13(2)26-27)14-7-4-3-5-8-14/h3-11,26H,1-2H3
InChIKeyHCFIJHMPFFSVFK-UHFFFAOYSA-N
XLogP3.42
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 159682569) is 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(C)[nH]n2c(=O)c1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HCFIJHMPFFSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c1-12-17(20-25-24-19(29-20)15-9-6-10-22-11-15)21(28)27-18(23-12)16(13(2)26-27)14-7-4-3-5-8-14/h3-11,26H,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 384.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-6-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 159682569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).