4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C106H99F5N22O — CID 159842207

About 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159842207) has the molecular formula C106H99F5N22O and a molecular weight of 1792.10 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 159842207
• Molecular Formula: C106H99F5N22O
• Molecular Weight: 1792.10 g/mol
• Exact Mass: 1790.83
• IUPAC Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1cc2c(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)ccnc2[nH]1.Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccoc3)c2-c2ccnc3[nH]ccc23)cc1.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1
• InChI: InChI=1S/C23H23FN4.C22H21FN4.C21H20FN5.C21H15FN4O.C19H20FN5/c1-15-13-20-19(11-12-25-23(20)27-15)22-21(16-7-9-17(24)10-8-16)26-14-28(22)18-5-3-2-4-6-18;23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17;22-15-3-1-14(2-4-15)19-20(17-7-11-24-21-18(17)8-12-25-21)27(13-26-19)16-5-9-23-10-6-16;22-16-3-1-15(2-4-16)19-20(17-5-8-23-21-18(17)6-9-24-21)26(13-25-19)11-14-7-10-27-12-14;20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h7-14,18H,2-6H2,1H3,(H,25,27);6-14,17H,1-5H2,(H,24,25);1-4,7-8,11-13,16,23H,5-6,9-10H2,(H,24,25);1-10,12-13H,11H2,(H,23,24);6-12,15H,1-5H2,(H2,21,22,24)
• InChIKey: NOVAIKXWMZVOCM-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 280.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.10
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 159842207) is 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1cc2c(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)ccnc2[nH]1.Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccoc3)c2-c2ccnc3[nH]ccc23)cc1.Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)n1.

What is the InChIKey of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is NOVAIKXWMZVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4.C22H21FN4.C21H20FN5.C21H15FN4O.C19H20FN5/c1-15-13-20-19(11-12-25-23(20)27-15)22-21(16-7-9-17(24)10-8-16)26-14-28(22)18-5-3-2-4-6-18;23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17;22-15-3-1-14(2-4-15)19-20(17-7-11-24-21-18(17)8-12-25-21)27(13-26-19)16-5-9-23-10-6-16;22-16-3-1-15(2-4-16)19-20(17-5-8-23-21-18(17)6-9-24-21)26(13-25-19)11-14-7-10-27-12-14;20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h7-14,18H,2-6H2,1H3,(H,25,27);6-14,17H,1-5H2,(H,24,25);1-4,7-8,11-13,16,23H,5-6,9-10H2,(H,24,25);1-10,12-13H,11H2,(H,23,24);6-12,15H,1-5H2,(H2,21,22,24).

What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?

4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1792.10 g/mol, XLogP of 25.05, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159842207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).