5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H18ClN7O — CID 87202907

IUPAC5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(n3ncc4cnc(Cl)nc43)CC2)n1
InChIInChI=1S/C15H18ClN7O/c1-9(2)12-19-15(24-21-12)22-5-3-11(4-6-22)23-13-10(8-18-23)7-17-14(16)20-13/h7-9,11H,3-6H2,1-2H3
InChIKeyWUUCXPIPLRVFKE-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.83
Rot. Bonds3

About 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 87202907) has the molecular formula C15H18ClN7O and a molecular weight of 347.81 g/mol. Its IUPAC name is 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID87202907
Molecular FormulaC15H18ClN7O
Molecular Weight347.81 g/mol
Exact Mass347.13
IUPAC Name5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(n3ncc4cnc(Cl)nc43)CC2)n1
InChIInChI=1S/C15H18ClN7O/c1-9(2)12-19-15(24-21-12)22-5-3-11(4-6-22)23-13-10(8-18-23)7-17-14(16)20-13/h7-9,11H,3-6H2,1-2H3
InChIKeyWUUCXPIPLRVFKE-UHFFFAOYSA-N
XLogP2.83
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 87202907) is 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(n3ncc4cnc(Cl)nc43)CC2)n1.
What is the InChIKey of 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WUUCXPIPLRVFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN7O/c1-9(2)12-19-15(24-21-12)22-5-3-11(4-6-22)23-13-10(8-18-23)7-17-14(16)20-13/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 347.81 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87202907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).