6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile

C16H13F2N7O — CID 134229443

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CC(F)(F)C2)n1
InChIInChI=1S/C16H13F2N7O/c1-8-11(12(20)13-14(21-8)24-26-23-13)4-10-3-2-9(5-19)15(22-10)25-6-16(17,18)7-25/h2-3H,4,6-7,20H2,1H3
InChIKeyDZLUWUHBINPDLK-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.82
Rot. Bonds3

About 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile (PubChem CID 134229443) has the molecular formula C16H13F2N7O and a molecular weight of 357.32 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile
PubChem CID134229443
Molecular FormulaC16H13F2N7O
Molecular Weight357.32 g/mol
Exact Mass357.11
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CC(F)(F)C2)n1
InChIInChI=1S/C16H13F2N7O/c1-8-11(12(20)13-14(21-8)24-26-23-13)4-10-3-2-9(5-19)15(22-10)25-6-16(17,18)7-25/h2-3H,4,6-7,20H2,1H3
InChIKeyDZLUWUHBINPDLK-UHFFFAOYSA-N
XLogP1.82
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile (CID 134229443) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(N2CC(F)(F)C2)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is DZLUWUHBINPDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N7O/c1-8-11(12(20)13-14(21-8)24-26-23-13)4-10-3-2-9(5-19)15(22-10)25-6-16(17,18)7-25/h2-3H,4,6-7,20H2,1H3.
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 357.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(3,3-difluoroazetidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 134229443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).