[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

C105H136Cl5F6N41O7S — CID 160757814

About [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 160757814) has the molecular formula C105H136Cl5F6N41O7S and a molecular weight of 2407.84 g/mol. Its IUPAC name is [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 160757814
• Molecular Formula: C105H136Cl5F6N41O7S
• Molecular Weight: 2407.84 g/mol
• Exact Mass: 2403.96
• IUPAC Name: [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1.CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)s1.CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)nc2N)o1
• InChI: InChI=1S/C27H34ClF3N10O2.C26H35Cl2N11O2.C26H32ClF3N10O2.C26H35ClN10OS/c1-4-16-14-40(23-21(27(29,30)31)35-19(12-34-23)24-37-38-26(43-24)33-5-2)15(3)13-41(16)17-8-10-39(11-9-17)25(42)18-6-7-20(28)36-22(18)32;1-4-15-13-38(23-20(28)33-19(22(30)34-23)24-35-36-26(41-24)31-5-2)14(3)12-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29;1-3-15-14-39(22-20(26(28,29)30)34-18(13-33-22)23-36-37-25(42-23)32-4-2)11-12-40(15)16-7-9-38(10-8-16)24(41)17-5-6-19(27)35-21(17)31;1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,32,36)(H,33,38);6-7,14-16H,4-5,8-13H2,1-3H3,(H2,29,32)(H2,30,34)(H,31,36);5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,31,35)(H,32,37);6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34)/t15-,16+;14-,15+;15-;17-/m1100/s1
• InChIKey: RXQVRCQBPYXFGI-CFSJZDBQSA-N
• XLogP: 15.00
• TPSA: 582.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2407.84
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 160757814) is [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1.CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)s1.CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)nc2N)o1.

What is the InChIKey of [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is RXQVRCQBPYXFGI-CFSJZDBQSA-N. The full InChI is InChI=1S/C27H34ClF3N10O2.C26H35Cl2N11O2.C26H32ClF3N10O2.C26H35ClN10OS/c1-4-16-14-40(23-21(27(29,30)31)35-19(12-34-23)24-37-38-26(43-24)33-5-2)15(3)13-41(16)17-8-10-39(11-9-17)25(42)18-6-7-20(28)36-22(18)32;1-4-15-13-38(23-20(28)33-19(22(30)34-23)24-35-36-26(41-24)31-5-2)14(3)12-39(15)16-8-10-37(11-9-16)25(40)17-6-7-18(27)32-21(17)29;1-3-15-14-39(22-20(26(28,29)30)34-18(13-33-22)23-36-37-25(42-23)32-4-2)11-12-40(15)16-7-9-38(10-8-16)24(41)17-5-6-19(27)35-21(17)31;1-4-17-15-36(23-16(3)31-20(14-30-23)24-33-34-26(39-24)29-5-2)12-13-37(17)18-8-10-35(11-9-18)25(38)19-6-7-21(27)32-22(19)28/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,32,36)(H,33,38);6-7,14-16H,4-5,8-13H2,1-3H3,(H2,29,32)(H2,30,34)(H,31,36);5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,31,35)(H,32,37);6-7,14,17-18H,4-5,8-13,15H2,1-3H3,(H2,28,32)(H,29,34)/t15-,16+;14-,15+;15-;17-/m1100/s1.

What are the key properties of [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

[4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2407.84 g/mol, XLogP of 15.00, 28 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S,5R)-4-[6-amino-3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]-5-methylpiperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-2-ethyl-4-[5-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-3-methylpyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 160757814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).