[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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone

C97H123Cl8FN42O7 — CID 159693636

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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 159693636) has the molecular formula C97H123Cl8FN42O7 and a molecular weight of 2291.96 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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 159693636
• Molecular Formula: C97H123Cl8FN42O7
• Molecular Weight: 2291.96 g/mol
• Exact Mass: 2286.81
• 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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1.CC[C@H]1CN(c2nc(N)c(-c3n[nH]c(C)n3)nc2Cl)CCN1C1CCN(C(=O)c2cc(F)c(Cl)nc2N)CC1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.CC[C@H]1CN(c2nc(N)c(-c3nnc(N)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C26H34Cl2N10O2.C24H30Cl2FN11O.C24H30Cl2N10O2.C23H29Cl2N11O2/c1-3-9-30-26-35-34-24(40-26)19-14-31-23(21(28)32-19)37-12-13-38(16(4-2)15-37)17-7-10-36(11-8-17)25(39)18-5-6-20(27)33-22(18)29;1-3-13-11-37(23-19(26)31-17(21(29)33-23)22-30-12(2)34-35-22)8-9-38(13)14-4-6-36(7-5-14)24(39)15-10-16(27)18(25)32-20(15)28;1-3-14-12-35(22-19(26)30-18(21(28)31-22)23-33-32-13(2)38-23)10-11-36(14)15-6-8-34(9-7-15)24(37)16-4-5-17(25)29-20(16)27;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/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H2,29,33)(H,30,35);10,13-14H,3-9,11H2,1-2H3,(H2,28,32)(H2,29,33)(H,30,34,35);4-5,14-15H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31);3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t16-;13-;14-;12-/m0000/s1
• InChIKey: MWSMPFAXJVSBOD-XZXCTDQJSA-N
• XLogP: 11.71
• TPSA: 640.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.96
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (CID 159693636) 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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is CCCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1.CC[C@H]1CN(c2nc(N)c(-c3n[nH]c(C)n3)nc2Cl)CCN1C1CCN(C(=O)c2cc(F)c(Cl)nc2N)CC1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is MWSMPFAXJVSBOD-XZXCTDQJSA-N. The full InChI is InChI=1S/C26H34Cl2N10O2.C24H30Cl2FN11O.C24H30Cl2N10O2.C23H29Cl2N11O2/c1-3-9-30-26-35-34-24(40-26)19-14-31-23(21(28)32-19)37-12-13-38(16(4-2)15-37)17-7-10-36(11-8-17)25(39)18-5-6-20(27)33-22(18)29;1-3-13-11-37(23-19(26)31-17(21(29)33-23)22-30-12(2)34-35-22)8-9-38(13)14-4-6-36(7-5-14)24(39)15-10-16(27)18(25)32-20(15)28;1-3-14-12-35(22-19(26)30-18(21(28)31-22)23-33-32-13(2)38-23)10-11-36(14)15-6-8-34(9-7-15)24(37)16-4-5-17(25)29-20(16)27;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/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H2,29,33)(H,30,35);10,13-14H,3-9,11H2,1-2H3,(H2,28,32)(H2,29,33)(H,30,34,35);4-5,14-15H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31);3-4,12-13H,2,5-11H2,1H3,(H2,26,29)(H2,27,31)(H2,28,33)/t16-;13-;14-;12-/m0000/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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2291.96 g/mol, XLogP of 11.71, 23 rotatable bonds, 10 hydrogen bond donors, and 44 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;(2-amino-6-chloro-5-fluoro-3-pyridinyl)-[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone;[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-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)-4-[3-chloro-5-[5-(propylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 159693636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).