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

C103H97N21O5 — CID 160682335

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

8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 160682335) has the molecular formula C103H97N21O5 and a molecular weight of 1709.05 g/mol. Its IUPAC name is 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 160682335
• Molecular Formula: C103H97N21O5
• Molecular Weight: 1709.05 g/mol
• Exact Mass: 1707.80
• IUPAC Name: 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(C)[C@@H]1C
• InChI: InChI=1S/2C22H22N4O.2C20H18N4O.C19H17N5O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)19-16(24)7-5-10-21-19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24;1-11-6-7-13-14-5-4-8-22-19(14)25-16(13)15(11)24-12(2)23(3)17-18(24)21-10-9-20-17/h2*5-13,15H,1-4H3;2*4-11,13H,1-3H3;4-10,12H,1-3H3/t2*15-;2*13-;12-/m00000/s1
• InChIKey: ROHRELNTVUFWSW-CPUYZLNTSA-N
• XLogP: 24.04
• TPSA: 239.89 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 7
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.05
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 160682335) is 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2cccnc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2nccnc2N(C)[C@@H]1C.

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

The InChIKey is ROHRELNTVUFWSW-CPUYZLNTSA-N. The full InChI is InChI=1S/2C22H22N4O.2C20H18N4O.C19H17N5O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)19-16(24)7-5-10-21-19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24;1-11-6-7-13-14-5-4-8-22-19(14)25-16(13)15(11)24-12(2)23(3)17-18(24)21-10-9-20-17/h2*5-13,15H,1-4H3;2*4-11,13H,1-3H3;4-10,12H,1-3H3/t2*15-;2*13-;12-/m00000/s1.

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

8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1709.05 g/mol, XLogP of 24.04, 7 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 160682335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).