7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C112H97N21O5 — CID 159244173

About 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 159244173) has the molecular formula C112H97N21O5 and a molecular weight of 1820.17 g/mol. Its IUPAC name is 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159244173
• Molecular Formula: C112H97N21O5
• Molecular Weight: 1820.17 g/mol
• Exact Mass: 1818.82
• IUPAC Name: 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ncccc23)[C@H]1C
• InChI: InChI=1S/2C25H20N4O.C24H19N5O.C21H21N5O.C17H17N3O/c1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)24-21(29)11-7-14-26-24;1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)21-11-7-14-26-24(21)29;1-15-10-11-18-19-9-6-12-27-24(19)30-21(18)20(15)29-16(2)28(17-7-4-3-5-8-17)22-23(29)26-14-13-25-22;1-12(2)25-14(4)26(20-19(25)22-10-11-23-20)17-13(3)7-8-15-16-6-5-9-24-21(16)27-18(15)17;1-11-6-7-13-14-5-4-8-18-17(14)21-16(13)15(11)20-10-9-19(3)12(20)2/h2*3-15,17H,1-2H3;3-14,16H,1-2H3;5-12,14H,1-4H3;4-10,12H,1-3H3/t2*17-;16-;14-;12-/m00000/s1/i;;;;3D3
• InChIKey: KULVPEXFOKZTBX-AMDQHEPASA-N
• XLogP: 27.01
• TPSA: 239.89 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1820.17
LogP ≤ 5	27.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 159244173) is 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(c2ccccc2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(c2ccccc2)[C@@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2ncccc23)[C@H]1C.

What is the InChIKey of 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is KULVPEXFOKZTBX-AMDQHEPASA-N. The full InChI is InChI=1S/2C25H20N4O.C24H19N5O.C21H21N5O.C17H17N3O/c1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)24-21(29)11-7-14-26-24;1-16-12-13-19-20-10-6-15-27-25(20)30-23(19)22(16)29-17(2)28(18-8-4-3-5-9-18)21-11-7-14-26-24(21)29;1-15-10-11-18-19-9-6-12-27-24(19)30-21(18)20(15)29-16(2)28(17-7-4-3-5-8-17)22-23(29)26-14-13-25-22;1-12(2)25-14(4)26(20-19(25)22-10-11-23-20)17-13(3)7-8-15-16-6-5-9-24-21(16)27-18(15)17;1-11-6-7-13-14-5-4-8-18-17(14)21-16(13)15(11)20-10-9-19(3)12(20)2/h2*3-15,17H,1-2H3;3-14,16H,1-2H3;5-12,14H,1-4H3;4-10,12H,1-3H3/t2*17-;16-;14-;12-/m00000/s1/i;;;;3D3.

What are the key properties of 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1820.17 g/mol, XLogP of 27.01, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159244173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).