2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane

C54H44BrF5N24O6S — CID 159593734

About 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane

2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane (PubChem CID 159593734) has the molecular formula C54H44BrF5N24O6S and a molecular weight of 1332.07 g/mol. Its IUPAC name is 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane.

Molecular Properties

• Compound Name: 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane
• PubChem CID: 159593734
• Molecular Formula: C54H44BrF5N24O6S
• Molecular Weight: 1332.07 g/mol
• Exact Mass: 1330.27
• IUPAC Name: 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane
• SMILES: C.C#Cc1cnc(Cc2c(C)nc3nonc3c2N)nc1.C#Cc1cnc(Cc2c(C)nc3nonc3c2N)nc1C(F)(F)F.Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(S(C)(=O)=O)n1.Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(C(F)F)n1
• InChI: InChI=1S/C14H9F3N6O.C13H12BrN5O3S.C13H9F2N7O.C13H10N6O.CH4/c1-3-7-5-19-9(21-12(7)14(15,16)17)4-8-6(2)20-13-11(10(8)18)22-24-23-13;1-6-8(10(15)11-12(16-6)19-22-18-11)5-7-3-4-9(14)13(17-7)23(2,20)21;1-5-7(9(17)11-13(19-5)22-23-21-11)2-8-18-4-6(3-16)10(20-8)12(14)15;1-3-8-5-15-10(16-6-8)4-9-7(2)17-13-12(11(9)14)18-20-19-13;/h1,5H,4,18H2,2H3;3-4H,5,15H2,1-2H3;4,12H,2,17H2,1H3;1,5-6H,4,14H2,2H3;1H4
• InChIKey: MKOGGABCLMVIRY-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 459.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1332.07
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane?

The IUPAC name of 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane (CID 159593734) is 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane.

What is the SMILES notation for 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane?

The canonical SMILES for 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane is C.C#Cc1cnc(Cc2c(C)nc3nonc3c2N)nc1.C#Cc1cnc(Cc2c(C)nc3nonc3c2N)nc1C(F)(F)F.Cc1nc2nonc2c(N)c1Cc1ccc(Br)c(S(C)(=O)=O)n1.Cc1nc2nonc2c(N)c1Cc1ncc(C#N)c(C(F)F)n1.

What is the InChIKey of 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane?

The InChIKey is MKOGGABCLMVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6O.C13H12BrN5O3S.C13H9F2N7O.C13H10N6O.CH4/c1-3-7-5-19-9(21-12(7)14(15,16)17)4-8-6(2)20-13-11(10(8)18)22-24-23-13;1-6-8(10(15)11-12(16-6)19-22-18-11)5-7-3-4-9(14)13(17-7)23(2,20)21;1-5-7(9(17)11-13(19-5)22-23-21-11)2-8-18-4-6(3-16)10(20-8)12(14)15;1-3-8-5-15-10(16-6-8)4-9-7(2)17-13-12(11(9)14)18-20-19-13;/h1,5H,4,18H2,2H3;3-4H,5,15H2,1-2H3;4,12H,2,17H2,1H3;1,5-6H,4,14H2,2H3;1H4.

What are the key properties of 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane?

2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane has a molecular weight of 1332.07 g/mol, XLogP of 6.75, 10 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-4-(difluoromethyl)pyrimidine-5-carbonitrile;6-[(5-bromo-6-methylsulfonyl-2-pyridinyl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[(5-ethynylpyrimidin-2-yl)methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[5-ethynyl-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;methane is sourced from PubChem (CID 159593734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).