4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate

C103H103Br2ClF6N18O13S — CID 157374800

About 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate

4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate (PubChem CID 157374800) has the molecular formula C103H103Br2ClF6N18O13S and a molecular weight of 2142.39 g/mol. Its IUPAC name is 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate.

Molecular Properties

• Compound Name: 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate
• PubChem CID: 157374800
• Molecular Formula: C103H103Br2ClF6N18O13S
• Molecular Weight: 2142.39 g/mol
• Exact Mass: 2138.56
• IUPAC Name: 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate
• SMILES: COC(=O)NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1.COC(=O)NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1.C[C@@H](NC(=O)c1ccc(-c2nc(C3=CCCCC3)cnc2N)cc1F)c1cc(F)cc(S(C)(=O)=O)c1.Nc1ncc(C2=CCCCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
• InChI: InChI=1S/C26H26BrF2N5O4.C26H27BrFN5O4.C26H26F2N4O3S.C25H24ClFN4O2/c1-37-26(36)32-13-22(16-8-17(27)11-18(28)9-16)34-25(35)19-3-2-15(10-20(19)29)23-24(30)31-12-21(33-23)14-4-6-38-7-5-14;1-36-26(35)31-14-22(16-3-2-4-18(27)11-16)33-25(34)19-6-5-17(12-20(19)28)23-24(29)30-13-21(32-23)15-7-9-37-10-8-15;1-15(18-10-19(27)13-20(11-18)36(2,34)35)31-26(33)21-9-8-17(12-22(21)28)24-25(29)30-14-23(32-24)16-6-4-3-5-7-16;26-18-8-4-7-16(11-18)22(14-32)31-25(33)19-10-9-17(12-20(19)27)23-24(28)29-13-21(30-23)15-5-2-1-3-6-15/h2-3,8-12,14,22H,4-7,13H2,1H3,(H2,30,31)(H,32,36)(H,34,35);2-6,11-13,15,22H,7-10,14H2,1H3,(H2,29,30)(H,31,35)(H,33,34);6,8-15H,3-5,7H2,1-2H3,(H2,29,30)(H,31,33);4-5,7-13,22,32H,1-3,6,14H2,(H2,28,29)(H,31,33)/t2*22-;15-;22-/m1111/s1
• InChIKey: BKERRZSJHAOYJS-SKFGARBXSA-N
• XLogP: 18.63
• TPSA: 473.09 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.39
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate?

The IUPAC name of 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate (CID 157374800) is 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate.

What is the SMILES notation for 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate?

The canonical SMILES for 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate is COC(=O)NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1.COC(=O)NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1.C[C@@H](NC(=O)c1ccc(-c2nc(C3=CCCCC3)cnc2N)cc1F)c1cc(F)cc(S(C)(=O)=O)c1.Nc1ncc(C2=CCCCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.

What is the InChIKey of 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate?

The InChIKey is BKERRZSJHAOYJS-SKFGARBXSA-N. The full InChI is InChI=1S/C26H26BrF2N5O4.C26H27BrFN5O4.C26H26F2N4O3S.C25H24ClFN4O2/c1-37-26(36)32-13-22(16-8-17(27)11-18(28)9-16)34-25(35)19-3-2-15(10-20(19)29)23-24(30)31-12-21(33-23)14-4-6-38-7-5-14;1-36-26(35)31-14-22(16-3-2-4-18(27)11-16)33-25(34)19-6-5-17(12-20(19)28)23-24(29)30-13-21(32-23)15-7-9-37-10-8-15;1-15(18-10-19(27)13-20(11-18)36(2,34)35)31-26(33)21-9-8-17(12-22(21)28)24-25(29)30-14-23(32-24)16-6-4-3-5-7-16;26-18-8-4-7-16(11-18)22(14-32)31-25(33)19-10-9-17(12-20(19)27)23-24(28)29-13-21(30-23)15-5-2-1-3-6-15/h2-3,8-12,14,22H,4-7,13H2,1H3,(H2,30,31)(H,32,36)(H,34,35);2-6,11-13,15,22H,7-10,14H2,1H3,(H2,29,30)(H,31,35)(H,33,34);6,8-15H,3-5,7H2,1-2H3,(H2,29,30)(H,31,33);4-5,7-13,22,32H,1-3,6,14H2,(H2,28,29)(H,31,33)/t2*22-;15-;22-/m1111/s1.

What are the key properties of 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate?

4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate has a molecular weight of 2142.39 g/mol, XLogP of 18.63, 26 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(cyclohexen-1-yl)pyrazin-2-yl]-2-fluoro-N-[(1R)-1-(3-fluoro-5-methylsulfonylphenyl)ethyl]benzamide;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromo-5-fluorophenyl)ethyl]carbamate;methyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-bromophenyl)ethyl]carbamate is sourced from PubChem (CID 157374800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).