4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone

C103H114N28O8S5 — CID 160815918

About 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone

4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 160815918) has the molecular formula C103H114N28O8S5 and a molecular weight of 2032.57 g/mol. Its IUPAC name is 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

• Compound Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone
• PubChem CID: 160815918
• Molecular Formula: C103H114N28O8S5
• Molecular Weight: 2032.57 g/mol
• Exact Mass: 2030.80
• IUPAC Name: 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone
• SMILES: CCCc1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)CC(N)=O)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)Cc4cccnc4)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1.Cc1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1
• InChI: InChI=1S/C25H24N4OS.C23H27N7O2S.C21H23N7O2S.C19H21N5OS.C15H19N5O2S/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-2-6-17-15-18-22(24-16-25-23(18)33-17)29-12-10-28(11-13-29)21(31)9-5-14-32-30-20-8-4-3-7-19(20)26-27-30;1-15-13-16-20(22-14-23-21(16)31-15)27-10-8-26(9-11-27)19(29)7-4-12-30-28-18-6-3-2-5-17(18)24-25-28;1-2-15-11-16-18(21-13-22-19(16)26-15)24-8-6-23(7-9-24)17(25)10-14-4-3-5-20-12-14;1-2-10-7-11-14(17-9-18-15(11)23-10)20-5-3-19(4-6-20)13(22)8-12(16)21/h3-11,16-17H,2,12-15H2,1H3;3-4,7-8,15-16H,2,5-6,9-14H2,1H3;2-3,5-6,13-14H,4,7-12H2,1H3;3-5,11-13H,2,6-10H2,1H3;7,9H,2-6,8H2,1H3,(H2,16,21)
• InChIKey: SEXADBCBGYZJAZ-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 382.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.57
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone?

The IUPAC name of 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone (CID 160815918) is 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone.

What is the SMILES notation for 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone?

The canonical SMILES for 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone is CCCc1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)CC(N)=O)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)Cc4cccnc4)CC3)ncnc2s1.CCc1cc2c(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)ncnc2s1.Cc1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1.

What is the InChIKey of 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone?

The InChIKey is SEXADBCBGYZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS.C23H27N7O2S.C21H23N7O2S.C19H21N5OS.C15H19N5O2S/c1-2-21-16-22-23(26-17-27-24(22)31-21)28-12-14-29(15-13-28)25(30)20-10-8-19(9-11-20)18-6-4-3-5-7-18;1-2-6-17-15-18-22(24-16-25-23(18)33-17)29-12-10-28(11-13-29)21(31)9-5-14-32-30-20-8-4-3-7-19(20)26-27-30;1-15-13-16-20(22-14-23-21(16)31-15)27-10-8-26(9-11-27)19(29)7-4-12-30-28-18-6-3-2-5-17(18)24-25-28;1-2-15-11-16-18(21-13-22-19(16)26-15)24-8-6-23(7-9-24)17(25)10-14-4-3-5-20-12-14;1-2-10-7-11-14(17-9-18-15(11)23-10)20-5-3-19(4-6-20)13(22)8-12(16)21/h3-11,16-17H,2,12-15H2,1H3;3-4,7-8,15-16H,2,5-6,9-14H2,1H3;2-3,5-6,13-14H,4,7-12H2,1H3;3-5,11-13H,2,6-10H2,1H3;7,9H,2-6,8H2,1H3,(H2,16,21).

What are the key properties of 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone?

4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 2032.57 g/mol, XLogP of 13.45, 26 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(benzotriazol-1-yloxy)-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;4-(benzotriazol-1-yloxy)-1-[4-(6-propylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one;3-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropanamide;[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone;1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 160815918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).