[6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one

C112H116BrClN18O9 — CID 159871906

About [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one

[6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one (PubChem CID 159871906) has the molecular formula C112H116BrClN18O9 and a molecular weight of 1973.63 g/mol. Its IUPAC name is [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one.

Molecular Properties

• Compound Name: [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one
• PubChem CID: 159871906
• Molecular Formula: C112H116BrClN18O9
• Molecular Weight: 1973.63 g/mol
• Exact Mass: 1970.80
• IUPAC Name: [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one
• SMILES: CCCC1CC(=O)N(Cc2c(-c3ccccc3)cnc3c2ncn3Cc2ccc(OC)cc2)C1.CCCC1CC(=O)N(Cc2c(-c3ccccc3)cnc3nc[nH]c23)C1.CCCC1CNC(=O)C1.COc1ccc(Cn2cnc3c(CCl)c(-c4ccccc4)cnc32)cc1.COc1ccc(Cn2cnc3c(CO)c(-c4ccccc4)cnc32)cc1.COc1ccc(Cn2cnc3c(CO)c(Br)cnc32)cc1
• InChI: InChI=1S/C28H30N4O2.C21H18ClN3O.C21H19N3O2.C20H22N4O.C15H14BrN3O2.C7H13NO/c1-3-7-21-14-26(33)31(17-21)18-25-24(22-8-5-4-6-9-22)15-29-28-27(25)30-19-32(28)16-20-10-12-23(34-2)13-11-20;1-26-17-9-7-15(8-10-17)13-25-14-24-20-18(11-22)19(12-23-21(20)25)16-5-3-2-4-6-16;1-26-17-9-7-15(8-10-17)12-24-14-23-20-19(13-25)18(11-22-21(20)24)16-5-3-2-4-6-16;1-2-6-14-9-18(25)24(11-14)12-17-16(15-7-4-3-5-8-15)10-21-20-19(17)22-13-23-20;1-21-11-4-2-10(3-5-11)7-19-9-18-14-12(8-20)13(16)6-17-15(14)19;1-2-3-6-4-7(9)8-5-6/h4-6,8-13,15,19,21H,3,7,14,16-18H2,1-2H3;2-10,12,14H,11,13H2,1H3;2-11,14,25H,12-13H2,1H3;3-5,7-8,10,13-14H,2,6,9,11-12H2,1H3,(H,21,22,23);2-6,9,20H,7-8H2,1H3;6H,2-5H2,1H3,(H,8,9)
• InChIKey: NSLOJDSUISWAAB-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 311.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.63
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one?

The IUPAC name of [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one (CID 159871906) is [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one.

What is the SMILES notation for [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one?

The canonical SMILES for [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2c(-c3ccccc3)cnc3c2ncn3Cc2ccc(OC)cc2)C1.CCCC1CC(=O)N(Cc2c(-c3ccccc3)cnc3nc[nH]c23)C1.CCCC1CNC(=O)C1.COc1ccc(Cn2cnc3c(CCl)c(-c4ccccc4)cnc32)cc1.COc1ccc(Cn2cnc3c(CO)c(-c4ccccc4)cnc32)cc1.COc1ccc(Cn2cnc3c(CO)c(Br)cnc32)cc1.

What is the InChIKey of [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one?

The InChIKey is NSLOJDSUISWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C21H18ClN3O.C21H19N3O2.C20H22N4O.C15H14BrN3O2.C7H13NO/c1-3-7-21-14-26(33)31(17-21)18-25-24(22-8-5-4-6-9-22)15-29-28-27(25)30-19-32(28)16-20-10-12-23(34-2)13-11-20;1-26-17-9-7-15(8-10-17)13-25-14-24-20-18(11-22)19(12-23-21(20)25)16-5-3-2-4-6-16;1-26-17-9-7-15(8-10-17)12-24-14-23-20-19(13-25)18(11-22-21(20)24)16-5-3-2-4-6-16;1-2-6-14-9-18(25)24(11-14)12-17-16(15-7-4-3-5-8-15)10-21-20-19(17)22-13-23-20;1-21-11-4-2-10(3-5-11)7-19-9-18-14-12(8-20)13(16)6-17-15(14)19;1-2-3-6-4-7(9)8-5-6/h4-6,8-13,15,19,21H,3,7,14,16-18H2,1-2H3;2-10,12,14H,11,13H2,1H3;2-11,14,25H,12-13H2,1H3;3-5,7-8,10,13-14H,2,6,9,11-12H2,1H3,(H,21,22,23);2-6,9,20H,7-8H2,1H3;6H,2-5H2,1H3,(H,8,9).

What are the key properties of [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one?

[6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one has a molecular weight of 1973.63 g/mol, XLogP of 21.28, 29 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]methanol;7-(chloromethyl)-3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridine;[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methanol;1-[[3-[(4-methoxyphenyl)methyl]-6-phenylimidazo[4,5-b]pyridin-7-yl]methyl]-4-propylpyrrolidin-2-one;1-[(6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methyl]-4-propylpyrrolidin-2-one;4-propylpyrrolidin-2-one is sourced from PubChem (CID 159871906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).