4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C88H84F4IN21 — CID 161297089

About 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161297089) has the molecular formula C88H84F4IN21 and a molecular weight of 1638.68 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161297089
• Molecular Formula: C88H84F4IN21
• Molecular Weight: 1638.68 g/mol
• Exact Mass: 1637.62
• IUPAC Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: CN(C)C1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)C1.CN1CCC(F)(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Cc1ccc(-c2ncn(Cc3cnn(C)n3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2nc(I)n(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1
• InChI: InChI=1S/C23H23F2N5.C22H20FIN4.C22H22FN5.C21H19N7/c1-29-12-8-23(25,9-13-29)14-30-15-28-20(16-2-4-17(24)5-3-16)21(30)18-6-10-26-22-19(18)7-11-27-22;23-15-8-6-14(7-9-15)19-20(17-10-12-25-21-18(17)11-13-26-21)28(22(24)27-19)16-4-2-1-3-5-16;1-27(2)16-11-17(12-16)28-13-26-20(14-3-5-15(23)6-4-14)21(28)18-7-9-24-22-19(18)8-10-25-22;1-14-3-5-15(6-4-14)19-20(17-7-9-22-21-18(17)8-10-23-21)28(13-24-19)12-16-11-25-27(2)26-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,26,27);6-13,16H,1-5H2,(H,25,26);3-10,13,16-17H,11-12H2,1-2H3,(H,24,25);3-11,13H,12H2,1-2H3,(H,22,23)
• InChIKey: VHCQUFZDFDUNIV-UHFFFAOYSA-N
• XLogP: 19.08
• TPSA: 223.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.68
LogP ≤ 5	19.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 161297089) is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is CN(C)C1CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)C1.CN1CCC(F)(Cn2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Cc1ccc(-c2ncn(Cc3cnn(C)n3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2nc(I)n(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.

What is the InChIKey of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VHCQUFZDFDUNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5.C22H20FIN4.C22H22FN5.C21H19N7/c1-29-12-8-23(25,9-13-29)14-30-15-28-20(16-2-4-17(24)5-3-16)21(30)18-6-10-26-22-19(18)7-11-27-22;23-15-8-6-14(7-9-15)19-20(17-10-12-25-21-18(17)11-13-26-21)28(22(24)27-19)16-4-2-1-3-5-16;1-27(2)16-11-17(12-16)28-13-26-20(14-3-5-15(23)6-4-14)21(28)18-7-9-24-22-19(18)8-10-25-22;1-14-3-5-15(6-4-14)19-20(17-7-9-22-21-18(17)8-10-23-21)28(13-24-19)12-16-11-25-27(2)26-16/h2-7,10-11,15H,8-9,12-14H2,1H3,(H,26,27);6-13,16H,1-5H2,(H,25,26);3-10,13,16-17H,11-12H2,1-2H3,(H,24,25);3-11,13H,12H2,1-2H3,(H,22,23).

What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1638.68 g/mol, XLogP of 19.08, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclobutan-1-amine;4-[5-(4-methylphenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161297089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).