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

C13H11F2N5O2 — CID 134229442

IUPAC6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)cn1
InChIInChI=1S/C13H11F2N5O2/c1-6-9(10(16)11-12(18-6)20-22-19-11)4-7-2-3-8(5-17-7)21-13(14)15/h2-3,5,13H,4,16H2,1H3
InChIKeyVWKQMEBZJVLHPD-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.10
Rot. Bonds4

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

6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229442) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229442
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC Name6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)cn1
InChIInChI=1S/C13H11F2N5O2/c1-6-9(10(16)11-12(18-6)20-22-19-11)4-7-2-3-8(5-17-7)21-13(14)15/h2-3,5,13H,4,16H2,1H3
InChIKeyVWKQMEBZJVLHPD-UHFFFAOYSA-N
XLogP2.10
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229442) is 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)F)cn1.
What is the InChIKey of 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is VWKQMEBZJVLHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c1-6-9(10(16)11-12(18-6)20-22-19-11)4-7-2-3-8(5-17-7)21-13(14)15/h2-3,5,13H,4,16H2,1H3.
What are the key properties of 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 307.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).