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

C21H22N6O2 — CID 159321696

IUPAC2,5-dimethyl-3-phenyl-6-(5-piperidin-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/C21H22N6O2/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/h3-5,7-8,15,22,26H,6,9-11H2,1-2H3
InChIKeyCDBUMCDNUZNLME-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.82
Rot. Bonds3

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

2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 159321696) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-6-(5-piperidin-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-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID159321696
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2,5-dimethyl-3-phenyl-6-(5-piperidin-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/C21H22N6O2/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/h3-5,7-8,15,22,26H,6,9-11H2,1-2H3
InChIKeyCDBUMCDNUZNLME-UHFFFAOYSA-N
XLogP2.82
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclohexyl-2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1,3-oxazole-4-carboxylic acid
CID 158780230
6-[5-(2-methoxycyclopentyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557734
6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557528
2-(2,5-dimethyl-7-oxo-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-5H-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 158351709
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557518
6-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557252
3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557271
2-(3-bromophenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82045304
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
2,5-dimethyl-3-phenyl-6-[4-[2-(prop-1-en-2-ylamino)ethoxy]-1,3-benzoxazol-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157245171

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-6-(5-piperidin-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-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 159321696) is 2,5-dimethyl-3-phenyl-6-(5-piperidin-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-piperidin-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-piperidin-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-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CDBUMCDNUZNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/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/h3-5,7-8,15,22,26H,6,9-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 390.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 159321696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).