[4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

C103H131Cl6F6N41O8 — CID 160896432

About [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

[4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 160896432) has the molecular formula C103H131Cl6F6N41O8 and a molecular weight of 2398.17 g/mol. Its IUPAC name is [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 160896432
• Molecular Formula: C103H131Cl6F6N41O8
• Molecular Weight: 2398.17 g/mol
• Exact Mass: 2393.91
• IUPAC Name: [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1.CCCc1nnc(-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(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1.CC[C@H]1CN(c2nc(N)c(-c3nnc(N)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C28H35ClF3N9O2.C26H35Cl2N11O2.C26H32ClF3N10O2.C23H29Cl2N11O2/c1-4-6-22-37-38-26(43-22)20-13-34-25(23(35-20)28(30,31)32)40-15-17(5-2)41(14-16(40)3)18-9-11-39(12-10-18)27(42)19-7-8-21(29)36-24(19)33;1-3-9-31-26-36-35-24(41-26)19-22(30)34-23(20(28)33-19)38-12-13-39(15(4-2)14-38)16-7-10-37(11-8-16)25(40)17-5-6-18(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;1-2-12-11-35(20-17(25)30-16(19(27)31-20)21-32-33-23(28)38-21)9-10-36(12)13-5-7-34(8-6-13)22(37)14-3-4-15(24)29-18(14)26/h7-8,13,16-18H,4-6,9-12,14-15H2,1-3H3,(H2,33,36);5-6,15-16H,3-4,7-14H2,1-2H3,(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);3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t16-,17+;2*15-;12-/m1000/s1
• InChIKey: SOXYAISCVXFTNX-QLAPAWICSA-N
• XLogP: 14.14
• TPSA: 623.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.17
LogP ≤ 5	14.14
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)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 160896432) is [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CCCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1.CCCc1nnc(-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(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C(F)(F)F)n2)o1.CC[C@H]1CN(c2nc(N)c(-c3nnc(N)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.

What is the InChIKey of [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is SOXYAISCVXFTNX-QLAPAWICSA-N. The full InChI is InChI=1S/C28H35ClF3N9O2.C26H35Cl2N11O2.C26H32ClF3N10O2.C23H29Cl2N11O2/c1-4-6-22-37-38-26(43-22)20-13-34-25(23(35-20)28(30,31)32)40-15-17(5-2)41(14-16(40)3)18-9-11-39(12-10-18)27(42)19-7-8-21(29)36-24(19)33;1-3-9-31-26-36-35-24(41-26)19-22(30)34-23(20(28)33-19)38-12-13-39(15(4-2)14-38)16-7-10-37(11-8-16)25(40)17-5-6-18(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;1-2-12-11-35(20-17(25)30-16(19(27)31-20)21-32-33-23(28)38-21)9-10-36(12)13-5-7-34(8-6-13)22(37)14-3-4-15(24)29-18(14)26/h7-8,13,16-18H,4-6,9-12,14-15H2,1-3H3,(H2,33,36);5-6,15-16H,3-4,7-14H2,1-2H3,(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);3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t16-,17+;2*15-;12-/m1000/s1.

What are the key properties of [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone?

[4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2398.17 g/mol, XLogP of 14.14, 27 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S)-4-[6-amino-5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;[4-[(2S)-4-[6-amino-3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)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,5R)-2-ethyl-5-methyl-4-[5-(5-propyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 160896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).