4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C73H68F4N34O9S2 — CID 159637348

About 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 159637348) has the molecular formula C73H68F4N34O9S2 and a molecular weight of 1705.70 g/mol. Its IUPAC name is 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
• PubChem CID: 159637348
• Molecular Formula: C73H68F4N34O9S2
• Molecular Weight: 1705.70 g/mol
• Exact Mass: 1704.53
• IUPAC Name: 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
• SMILES: Cc1nc2nonc2c(N)c1Cn1cc(C(C)(F)F)cn1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(C#N)c(F)c2)n1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(S(C)(=O)=O)cc2F)n1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccnn2C)n1.Cc1nc2nonc2c(N)c1Cn1ccc(N2CCCS2(=O)=O)n1
• InChI: InChI=1S/C17H12FN7O.C17H15FN6O3S.C14H14N8O.C13H15N7O3S.C12H12F2N6O/c1-9-12(15(20)16-17(21-9)24-26-23-16)8-25-5-4-14(22-25)10-2-3-11(7-19)13(18)6-10;1-9-12(15(19)16-17(20-9)23-27-22-16)8-24-6-5-14(21-24)11-4-3-10(7-13(11)18)28(2,25)26;1-8-9(12(15)13-14(17-8)20-23-19-13)7-22-6-4-10(18-22)11-3-5-16-21(11)2;1-8-9(11(14)12-13(15-8)18-23-17-12)7-19-5-3-10(16-19)20-4-2-6-24(20,21)22;1-6-8(9(15)10-11(17-6)19-21-18-10)5-20-4-7(3-16-20)12(2,13)14/h2-6H,8,20H2,1H3;3-7H,8,19H2,1-2H3;3-6H,7,15H2,1-2H3;3,5H,2,4,6-7,14H2,1H3;3-4H,5,15H2,1-2H3
• InChIKey: MPXIXQFKXJPUGA-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 591.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.70
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?

The IUPAC name of 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 159637348) is 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

What is the SMILES notation for 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?

The canonical SMILES for 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cn1cc(C(C)(F)F)cn1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(C#N)c(F)c2)n1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccc(S(C)(=O)=O)cc2F)n1.Cc1nc2nonc2c(N)c1Cn1ccc(-c2ccnn2C)n1.Cc1nc2nonc2c(N)c1Cn1ccc(N2CCCS2(=O)=O)n1.

What is the InChIKey of 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?

The InChIKey is MPXIXQFKXJPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O.C17H15FN6O3S.C14H14N8O.C13H15N7O3S.C12H12F2N6O/c1-9-12(15(20)16-17(21-9)24-26-23-16)8-25-5-4-14(22-25)10-2-3-11(7-19)13(18)6-10;1-9-12(15(19)16-17(20-9)23-27-22-16)8-24-6-5-14(21-24)11-4-3-10(7-13(11)18)28(2,25)26;1-8-9(12(15)13-14(17-8)20-23-19-13)7-22-6-4-10(18-22)11-3-5-16-21(11)2;1-8-9(11(14)12-13(15-8)18-23-17-12)7-19-5-3-10(16-19)20-4-2-6-24(20,21)22;1-6-8(9(15)10-11(17-6)19-21-18-10)5-20-4-7(3-16-20)12(2,13)14/h2-6H,8,20H2,1H3;3-7H,8,19H2,1-2H3;3-6H,7,15H2,1-2H3;3,5H,2,4,6-7,14H2,1H3;3-4H,5,15H2,1-2H3.

What are the key properties of 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?

4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 1705.70 g/mol, XLogP of 7.71, 16 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazol-3-yl]-2-fluorobenzonitrile;6-[[4-(1,1-difluoroethyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;6-[[3-(2-fluoro-4-methylsulfonylphenyl)pyrazol-1-yl]methyl]-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine;5-methyl-6-[[3-(2-methylpyrazol-3-yl)pyrazol-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 159637348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).