N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C95H86F11IN12O4 — CID 157465481

About N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 157465481) has the molecular formula C95H86F11IN12O4 and a molecular weight of 1795.69 g/mol. Its IUPAC name is N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• PubChem CID: 157465481
• Molecular Formula: C95H86F11IN12O4
• Molecular Weight: 1795.69 g/mol
• Exact Mass: 1794.58
• IUPAC Name: N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
• SMILES: O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1)c1ccccc1
• InChI: InChI=1S/C24H19F6N3O.C24H22F3N3O.C24H23FIN3O.C23H22FN3O/c25-14-7-5-13(6-8-14)17-11-31-24(16(32-17)9-12-3-1-2-4-12)33-18(34)10-15-19(26)21(28)23(30)22(29)20(15)27;25-18-8-6-17(7-9-18)22-14-28-24(21(29-22)12-15-3-1-2-4-15)30-23(31)13-16-5-10-19(26)20(27)11-16;25-19-9-7-18(8-10-19)22-15-27-24(21(28-22)13-16-3-1-2-4-16)29-23(30)14-17-5-11-20(26)12-6-17;24-19-12-10-17(11-13-19)21-15-25-22(20(26-21)14-16-6-4-5-7-16)27-23(28)18-8-2-1-3-9-18/h5-8,11-12H,1-4,9-10H2,(H,31,33,34);5-11,14-15H,1-4,12-13H2,(H,28,30,31);5-12,15-16H,1-4,13-14H2,(H,27,29,30);1-3,8-13,15-16H,4-7,14H2,(H,25,27,28)
• InChIKey: BUKQGGHWKYNSJA-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 219.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.69
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The IUPAC name of N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 157465481) is N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

What is the SMILES notation for N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The canonical SMILES for N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1.O=C(Nc1ncc(-c2ccc(F)cc2)nc1CC1CCCC1)c1ccccc1.

What is the InChIKey of N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

The InChIKey is BUKQGGHWKYNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N3O.C24H22F3N3O.C24H23FIN3O.C23H22FN3O/c25-14-7-5-13(6-8-14)17-11-31-24(16(32-17)9-12-3-1-2-4-12)33-18(34)10-15-19(26)21(28)23(30)22(29)20(15)27;25-18-8-6-17(7-9-18)22-14-28-24(21(29-22)12-15-3-1-2-4-15)30-23(31)13-16-5-10-19(26)20(27)11-16;25-19-9-7-18(8-10-19)22-15-27-24(21(28-22)13-16-3-1-2-4-16)29-23(30)14-17-5-11-20(26)12-6-17;24-19-12-10-17(11-13-19)21-15-25-22(20(26-21)14-16-6-4-5-7-16)27-23(28)18-8-2-1-3-9-18/h5-8,11-12H,1-4,9-10H2,(H,31,33,34);5-11,14-15H,1-4,12-13H2,(H,28,30,31);5-12,15-16H,1-4,13-14H2,(H,27,29,30);1-3,8-13,15-16H,4-7,14H2,(H,25,27,28).

What are the key properties of N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?

N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 1795.69 g/mol, XLogP of 22.44, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]benzamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(3,4-difluorophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(4-iodophenyl)acetamide;N-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 157465481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).