4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide

C91H84F4IN17O5S2 — CID 158651221

About 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide (PubChem CID 158651221) has the molecular formula C91H84F4IN17O5S2 and a molecular weight of 1762.82 g/mol. Its IUPAC name is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

• Compound Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
• PubChem CID: 158651221
• Molecular Formula: C91H84F4IN17O5S2
• Molecular Weight: 1762.82 g/mol
• Exact Mass: 1761.53
• IUPAC Name: 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide
• SMILES: C=CS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3c2C=CC3)CC1.CS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Fc1ccc(-c2nc(I)n(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1
• InChI: InChI=1S/C25H25FN4O2S.C23H24FN5O2S.C22H20FIN4.C21H15FN4O/c1-2-33(31,32)29-19-10-12-20(13-11-19)30-16-28-24(17-6-8-18(26)9-7-17)25(30)22-14-15-27-23-5-3-4-21(22)23;1-32(30,31)28-17-6-8-18(9-7-17)29-14-27-21(15-2-4-16(24)5-3-15)22(29)19-10-12-25-23-20(19)11-13-26-23;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;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h2-4,6-9,14-16,19-20,29H,1,5,10-13H2;2-5,10-14,17-18,28H,6-9H2,1H3,(H,25,26);6-13,16H,1-5H2,(H,25,26);1-11,13H,12H2,(H,23,24)
• InChIKey: IBOTWZASNFGSBF-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 275.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.82
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	5
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;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?

The IUPAC name of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide (CID 158651221) is 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide.

What is the SMILES notation for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?

The canonical SMILES for 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide is C=CS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3c2C=CC3)CC1.CS(=O)(=O)NC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc3[nH]ccc23)CC1.Fc1ccc(-c2nc(I)n(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.Fc1ccc(-c2ncn(Cc3ccco3)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;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?

The InChIKey is IBOTWZASNFGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S.C23H24FN5O2S.C22H20FIN4.C21H15FN4O/c1-2-33(31,32)29-19-10-12-20(13-11-19)30-16-28-24(17-6-8-18(26)9-7-17)25(30)22-14-15-27-23-5-3-4-21(22)23;1-32(30,31)28-17-6-8-18(9-7-17)29-14-27-21(15-2-4-16(24)5-3-15)22(29)19-10-12-25-23-20(19)11-13-26-23;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;22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h2-4,6-9,14-16,19-20,29H,1,5,10-13H2;2-5,10-14,17-18,28H,6-9H2,1H3,(H,25,26);6-13,16H,1-5H2,(H,25,26);1-11,13H,12H2,(H,23,24).

What are the key properties of 4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide?

4-[3-cyclohexyl-5-(4-fluorophenyl)-2-iodoimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide has a molecular weight of 1762.82 g/mol, XLogP of 20.35, 18 rotatable bonds, 5 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;N-[4-[5-(7H-cyclopenta[b]pyridin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexyl]ethenesulfonamide;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;N-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 158651221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).