N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine

C15H19N7O — CID 166306629

IUPACN,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3ccnc4[nH]ncc34)C2)n1
InChIInChI=1S/C15H19N7O/c1-21(2)15-18-14(23-20-15)10-4-3-7-22(9-10)12-5-6-16-13-11(12)8-17-19-13/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyRFWFVTWRSJYALL-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.79
Rot. Bonds3

About N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 166306629) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
PubChem CID166306629
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC NameN,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN(c3ccnc4[nH]ncc34)C2)n1
InChIInChI=1S/C15H19N7O/c1-21(2)15-18-14(23-20-15)10-4-3-7-22(9-10)12-5-6-16-13-11(12)8-17-19-13/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyRFWFVTWRSJYALL-UHFFFAOYSA-N
XLogP1.79
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine (CID 166306629) is N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CCCN(c3ccnc4[nH]ncc34)C2)n1.
What is the InChIKey of N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is RFWFVTWRSJYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-21(2)15-18-14(23-20-15)10-4-3-7-22(9-10)12-5-6-16-13-11(12)8-17-19-13/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,17,19).
What are the key properties of N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 313.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-3-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 166306629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).