4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide

C104H112Br2Cl2F5N17O9 — CID 158171411

About 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide

4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide (PubChem CID 158171411) has the molecular formula C104H112Br2Cl2F5N17O9 and a molecular weight of 2069.85 g/mol. Its IUPAC name is 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide
• PubChem CID: 158171411
• Molecular Formula: C104H112Br2Cl2F5N17O9
• Molecular Weight: 2069.85 g/mol
• Exact Mass: 2065.65
• IUPAC Name: 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide
• SMILES: CCC[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(O)CC3)cnc2N)cc1F)c1cc(F)cc(Br)c1.CCC[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(OC)CC3)cnc2N)cc1F)c1cccc(Br)c1.C[C@@H](O)[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(O)CC3)cnc2N)cc1F)c1cccc(Cl)c1.Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)NCc2cccc(Cl)n2)c(F)c1
• InChI: InChI=1S/C28H32BrFN4O2.C27H29BrF2N4O2.C26H28ClFN4O3.C23H23ClFN5O2/c1-3-5-24(18-6-4-7-20(29)14-18)34-28(35)22-13-10-19(15-23(22)30)26-27(31)32-16-25(33-26)17-8-11-21(36-2)12-9-17;1-2-3-23(17-10-18(28)13-19(29)11-17)34-27(36)21-9-6-16(12-22(21)30)25-26(31)32-14-24(33-25)15-4-7-20(35)8-5-15;1-14(33)23(16-3-2-4-18(27)11-16)32-26(35)20-10-7-17(12-21(20)28)24-25(29)30-13-22(31-24)15-5-8-19(34)9-6-15;24-20-3-1-2-15(29-20)11-28-23(32)17-9-6-14(10-18(17)25)21-22(26)27-12-19(30-21)13-4-7-16(31)8-5-13/h4,6-7,10,13-17,21,24H,3,5,8-9,11-12H2,1-2H3,(H2,31,32)(H,34,35);6,9-15,20,23,35H,2-5,7-8H2,1H3,(H2,31,32)(H,34,36);2-4,7,10-15,19,23,33-34H,5-6,8-9H2,1H3,(H2,29,30)(H,32,35);1-3,6,9-10,12-13,16,31H,4-5,7-8,11H2,(H2,26,27)(H,28,32)/t17?,21?,24-;15?,20?,23-;14-,15?,19?,23-;/m111./s1
• InChIKey: FXMNSQCMZFIRDP-AHUULLPKSA-N
• XLogP: 20.88
• TPSA: 426.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2069.85
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide?

The IUPAC name of 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide (CID 158171411) is 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide.

What is the SMILES notation for 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide?

The canonical SMILES for 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide is CCC[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(O)CC3)cnc2N)cc1F)c1cc(F)cc(Br)c1.CCC[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(OC)CC3)cnc2N)cc1F)c1cccc(Br)c1.C[C@@H](O)[C@@H](NC(=O)c1ccc(-c2nc(C3CCC(O)CC3)cnc2N)cc1F)c1cccc(Cl)c1.Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)NCc2cccc(Cl)n2)c(F)c1.

What is the InChIKey of 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide?

The InChIKey is FXMNSQCMZFIRDP-AHUULLPKSA-N. The full InChI is InChI=1S/C28H32BrFN4O2.C27H29BrF2N4O2.C26H28ClFN4O3.C23H23ClFN5O2/c1-3-5-24(18-6-4-7-20(29)14-18)34-28(35)22-13-10-19(15-23(22)30)26-27(31)32-16-25(33-26)17-8-11-21(36-2)12-9-17;1-2-3-23(17-10-18(28)13-19(29)11-17)34-27(36)21-9-6-16(12-22(21)30)25-26(31)32-14-24(33-25)15-4-7-20(35)8-5-15;1-14(33)23(16-3-2-4-18(27)11-16)32-26(35)20-10-7-17(12-21(20)28)24-25(29)30-13-22(31-24)15-5-8-19(34)9-6-15;24-20-3-1-2-15(29-20)11-28-23(32)17-9-6-14(10-18(17)25)21-22(26)27-12-19(30-21)13-4-7-16(31)8-5-13/h4,6-7,10,13-17,21,24H,3,5,8-9,11-12H2,1-2H3,(H2,31,32)(H,34,35);6,9-15,20,23,35H,2-5,7-8H2,1H3,(H2,31,32)(H,34,36);2-4,7,10-15,19,23,33-34H,5-6,8-9H2,1H3,(H2,29,30)(H,32,35);1-3,6,9-10,12-13,16,31H,4-5,7-8,11H2,(H2,26,27)(H,28,32)/t17?,21?,24-;15?,20?,23-;14-,15?,19?,23-;/m111./s1.

What are the key properties of 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide?

4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide has a molecular weight of 2069.85 g/mol, XLogP of 20.88, 26 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromo-5-fluorophenyl)butyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S,2R)-1-(3-chlorophenyl)-2-hydroxypropyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(6-chloro-2-pyridinyl)methyl]-2-fluorobenzamide;4-[3-amino-6-(4-methoxycyclohexyl)pyrazin-2-yl]-N-[(1R)-1-(3-bromophenyl)butyl]-2-fluorobenzamide is sourced from PubChem (CID 158171411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).