[1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine

C64H59F6N21O3 — CID 165036466

About [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine

[1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine (PubChem CID 165036466) has the molecular formula C64H59F6N21O3 and a molecular weight of 1284.31 g/mol. Its IUPAC name is [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

• Compound Name: [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine
• PubChem CID: 165036466
• Molecular Formula: C64H59F6N21O3
• Molecular Weight: 1284.31 g/mol
• Exact Mass: 1283.50
• IUPAC Name: [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine
• SMILES: C=C(c1cnc2c(ccn2-c2cncc(-c3noc(N)n3)c2)c1)N1CCC(F)(F)CC1.C=C(c1cnc2c(ccn2-c2cncc(-c3noc(NC)n3)c2)c1)N1CCC(F)(F)CC1.Nc1ncc(-c2cncc(-n3ccc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)c2)[nH]1
• InChI: InChI=1S/C22H21F2N7O.2C21H19F2N7O/c1-14(30-7-4-22(23,24)5-8-30)16-9-15-3-6-31(20(15)27-12-16)18-10-17(11-26-13-18)19-28-21(25-2)32-29-19;1-13(29-6-3-21(22,23)4-7-29)15-8-14-2-5-30(19(14)26-11-15)17-9-16(10-25-12-17)18-27-20(24)31-28-18;22-21(23)2-5-29(6-3-21)19(31)15-7-13-1-4-30(18(13)26-10-15)16-8-14(9-25-11-16)17-12-27-20(24)28-17/h3,6,9-13H,1,4-5,7-8H2,2H3,(H,25,28,29);2,5,8-12H,1,3-4,6-7H2,(H2,24,27,28);1,4,7-12H,2-3,5-6H2,(H3,24,27,28)
• InChIKey: NLGVRNPRUMEXOW-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 289.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.31
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine?

The IUPAC name of [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine (CID 165036466) is [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine.

What is the SMILES notation for [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine?

The canonical SMILES for [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine is C=C(c1cnc2c(ccn2-c2cncc(-c3noc(N)n3)c2)c1)N1CCC(F)(F)CC1.C=C(c1cnc2c(ccn2-c2cncc(-c3noc(NC)n3)c2)c1)N1CCC(F)(F)CC1.Nc1ncc(-c2cncc(-n3ccc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)c2)[nH]1.

What is the InChIKey of [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine?

The InChIKey is NLGVRNPRUMEXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O.2C21H19F2N7O/c1-14(30-7-4-22(23,24)5-8-30)16-9-15-3-6-31(20(15)27-12-16)18-10-17(11-26-13-18)19-28-21(25-2)32-29-19;1-13(29-6-3-21(22,23)4-7-29)15-8-14-2-5-30(19(14)26-11-15)17-9-16(10-25-12-17)18-27-20(24)31-28-18;22-21(23)2-5-29(6-3-21)19(31)15-7-13-1-4-30(18(13)26-10-15)16-8-14(9-25-11-16)17-12-27-20(24)28-17/h3,6,9-13H,1,4-5,7-8H2,2H3,(H,25,28,29);2,5,8-12H,1,3-4,6-7H2,(H2,24,27,28);1,4,7-12H,2-3,5-6H2,(H3,24,27,28).

What are the key properties of [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine?

[1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 1284.31 g/mol, XLogP of 11.23, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-(2-amino-1H-imidazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-N-methyl-1,2,4-oxadiazol-5-amine;3-[5-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]pyrrolo[2,3-b]pyridin-1-yl]-3-pyridinyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 165036466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).