3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

C18H17N7O — CID 133299375

IUPAC3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)cc1
InChIInChI=1S/C18H17N7O/c1-2-4-12(5-3-1)15-22-18(26-24-15)13-6-8-25(9-7-13)17-14-10-21-23-16(14)19-11-20-17/h1-5,10-11,13H,6-9H2,(H,19,20,21,23)
InChIKeyFCRUHJYNMNWIDB-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.79
Rot. Bonds3

About 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 133299375) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID133299375
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)cc1
InChIInChI=1S/C18H17N7O/c1-2-4-12(5-3-1)15-22-18(26-24-15)13-6-8-25(9-7-13)17-14-10-21-23-16(14)19-11-20-17/h1-5,10-11,13H,6-9H2,(H,19,20,21,23)
InChIKeyFCRUHJYNMNWIDB-UHFFFAOYSA-N
XLogP2.79
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11702984
2-ethyl-7-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1,3]oxazolo[5,4-d]pyrimidine
CID 70778356
3-phenyl-5-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133299396
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-[4-(2-iodophenoxy)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133337363
2-methyl-6-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
CID 72864679
5-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133299384
4-[4-[5-(3-nitrophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 66649976
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 138020060
3-methyl-5-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 55885848
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 133299375) is 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is c1ccc(-c2noc(C3CCN(c4ncnc5[nH]ncc45)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is FCRUHJYNMNWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-4-12(5-3-1)15-22-18(26-24-15)13-6-8-25(9-7-13)17-14-10-21-23-16(14)19-11-20-17/h1-5,10-11,13H,6-9H2,(H,19,20,21,23).
What are the key properties of 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 347.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 133299375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).