[4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone

C101H133Cl8N39O7 — CID 162124592

About [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone

[4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 162124592) has the molecular formula C101H133Cl8N39O7 and a molecular weight of 2289.06 g/mol. Its IUPAC name is [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 162124592
• Molecular Formula: C101H133Cl8N39O7
• Molecular Weight: 2289.06 g/mol
• Exact Mass: 2283.88
• IUPAC Name: [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(Cl)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2nc(N)c(C3=NCCN3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C26H34Cl2N10O2.C26H34Cl2N8O2.C25H33Cl2N11O2.C24H32Cl2N10O/c1-4-16-14-37(23-21(28)32-19(12-31-23)24-34-35-26(40-24)30-5-2)15(3)13-38(16)17-8-10-36(11-9-17)25(39)18-6-7-20(27)33-22(18)29;1-3-19-14-35(25-23(28)30-22(24(29)31-25)26-33-32-16(2)38-26)12-13-36(19)20-8-10-34(11-9-20)21(15-37)17-4-6-18(27)7-5-17;1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28;1-2-14-13-35(23-19(26)32-18(21(28)33-23)22-29-7-8-30-22)11-12-36(14)15-5-9-34(10-6-15)24(37)16-3-4-17(25)31-20(16)27/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,29,33)(H,30,35);4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35);3-4,14-15H,2,5-13H2,1H3,(H2,27,31)(H2,28,33)(H,29,30)/t15-,16+;19-,21-;2*14-/m1000/s1
• InChIKey: ZHVXHOMMXYZTDL-NSTFUQOESA-N
• XLogP: 12.59
• TPSA: 573.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2289.06
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

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-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone (CID 162124592) is [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(Cl)n2)o1.CCNc1nnc(-c2nc(Cl)c(N3CCN(C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1.CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1.CC[C@H]1CN(c2nc(N)c(C3=NCCN3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.

What is the InChIKey of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

The InChIKey is ZHVXHOMMXYZTDL-NSTFUQOESA-N. The full InChI is InChI=1S/C26H34Cl2N10O2.C26H34Cl2N8O2.C25H33Cl2N11O2.C24H32Cl2N10O/c1-4-16-14-37(23-21(28)32-19(12-31-23)24-34-35-26(40-24)30-5-2)15(3)13-38(16)17-8-10-36(11-9-17)25(39)18-6-7-20(27)33-22(18)29;1-3-19-14-35(25-23(28)30-22(24(29)31-25)26-33-32-16(2)38-26)12-13-36(19)20-8-10-34(11-9-20)21(15-37)17-4-6-18(27)7-5-17;1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28;1-2-14-13-35(23-19(26)32-18(21(28)33-23)22-29-7-8-30-22)11-12-36(14)15-5-9-34(10-6-15)24(37)16-3-4-17(25)31-20(16)27/h6-7,12,15-17H,4-5,8-11,13-14H2,1-3H3,(H2,29,33)(H,30,35);4-7,19-21,37H,3,8-15H2,1-2H3,(H2,29,31);5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35);3-4,14-15H,2,5-13H2,1H3,(H2,27,31)(H2,28,33)(H,29,30)/t15-,16+;19-,21-;2*14-/m1000/s1.

What are the key properties of [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone?

[4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 2289.06 g/mol, XLogP of 12.59, 26 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S)-4-[6-amino-3-chloro-5-(4,5-dihydro-1H-imidazol-2-yl)pyrazin-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-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]-(2-amino-6-chloro-3-pyridinyl)methanone;(2R)-2-[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-(4-chlorophenyl)ethanol;(2-amino-6-chloro-3-pyridinyl)-[4-[(2S,5R)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-ethyl-5-methylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162124592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).