6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C12H15F2N5O — CID 139369594

IUPAC6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCCC(F)(F)C1
InChIInChI=1S/C12H15F2N5O/c1-7-8(5-19-4-2-3-12(13,14)6-19)9(15)10-11(16-7)18-20-17-10/h2-6,15H2,1H3
InChIKeyLGLLIBKATGYOTH-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.74
Rot. Bonds2

About 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139369594) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139369594
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCCC(F)(F)C1
InChIInChI=1S/C12H15F2N5O/c1-7-8(5-19-4-2-3-12(13,14)6-19)9(15)10-11(16-7)18-20-17-10/h2-6,15H2,1H3
InChIKeyLGLLIBKATGYOTH-UHFFFAOYSA-N
XLogP1.74
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139369594) is 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CCCC(F)(F)C1.
What is the InChIKey of 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is LGLLIBKATGYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-7-8(5-19-4-2-3-12(13,14)6-19)9(15)10-11(16-7)18-20-17-10/h2-6,15H2,1H3.
What are the key properties of 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 283.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluoropiperidin-1-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139369594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).