4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one

C104H136F3N25O12S7 — CID 158380075

About 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one

4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 158380075) has the molecular formula C104H136F3N25O12S7 and a molecular weight of 2209.86 g/mol. Its IUPAC name is 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 158380075
• Molecular Formula: C104H136F3N25O12S7
• Molecular Weight: 2209.86 g/mol
• Exact Mass: 2207.88
• IUPAC Name: 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
• SMILES: CC(C)C(=O)N1CCN(Cc2csc3c(-c4cncc(CS(C)(=O)=O)c4)nc(N4CCCCC4)nc23)CC1.CC(C)C(=O)N1CCN(Cc2csc3c(-n4ccnc4C(F)(F)F)nc(N4CCCCC4)nc23)CC1.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C(C)=O)CC4)csc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C5COC5)CC4)csc23)cc1CS(C)(=O)=O
• InChI: InChI=1S/C27H36N6O4S2.C27H36N6O3S2.C26H34N6O4S2.C24H30F3N7OS/c1-36-26-20(18-39(2,34)35)12-19(13-28-26)23-25-24(30-27(29-23)33-6-4-3-5-7-33)21(17-38-25)14-31-8-10-32(11-9-31)22-15-37-16-22;1-19(2)26(34)32-11-9-31(10-12-32)16-22-17-37-25-23(21-13-20(14-28-15-21)18-38(3,35)36)29-27(30-24(22)25)33-7-5-4-6-8-33;1-18(33)31-11-9-30(10-12-31)15-21-16-37-24-22(28-26(29-23(21)24)32-7-5-4-6-8-32)19-13-20(17-38(3,34)35)25(36-2)27-14-19;1-16(2)21(35)32-12-10-31(11-13-32)14-17-15-36-19-18(17)29-23(33-7-4-3-5-8-33)30-20(19)34-9-6-28-22(34)24(25,26)27/h12-13,17,22H,3-11,14-16,18H2,1-2H3;13-15,17,19H,4-12,16,18H2,1-3H3;13-14,16H,4-12,15,17H2,1-3H3;6,9,15-16H,3-5,7-8,10-14H2,1-2H3
• InChIKey: GVRHRPDRMYPTTO-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 379.81 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.86
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one (CID 158380075) is 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(Cc2csc3c(-c4cncc(CS(C)(=O)=O)c4)nc(N4CCCCC4)nc23)CC1.CC(C)C(=O)N1CCN(Cc2csc3c(-n4ccnc4C(F)(F)F)nc(N4CCCCC4)nc23)CC1.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C(C)=O)CC4)csc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C5COC5)CC4)csc23)cc1CS(C)(=O)=O.

What is the InChIKey of 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The InChIKey is GVRHRPDRMYPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4S2.C27H36N6O3S2.C26H34N6O4S2.C24H30F3N7OS/c1-36-26-20(18-39(2,34)35)12-19(13-28-26)23-25-24(30-27(29-23)33-6-4-3-5-7-33)21(17-38-25)14-31-8-10-32(11-9-31)22-15-37-16-22;1-19(2)26(34)32-11-9-31(10-12-32)16-22-17-37-25-23(21-13-20(14-28-15-21)18-38(3,35)36)29-27(30-24(22)25)33-7-5-4-6-8-33;1-18(33)31-11-9-30(10-12-31)15-21-16-37-24-22(28-26(29-23(21)24)32-7-5-4-6-8-32)19-13-20(17-38(3,34)35)25(36-2)27-14-19;1-16(2)21(35)32-12-10-31(11-13-32)14-17-15-36-19-18(17)29-23(33-7-4-3-5-8-33)30-20(19)34-9-6-28-22(34)24(25,26)27/h12-13,17,22H,3-11,14-16,18H2,1-2H3;13-15,17,19H,4-12,16,18H2,1-3H3;13-14,16H,4-12,15,17H2,1-3H3;6,9,15-16H,3-5,7-8,10-14H2,1-2H3.

What are the key properties of 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 2209.86 g/mol, XLogP of 13.55, 27 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;1-[4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;2-methyl-1-[4-[[4-[5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[[2-piperidin-1-yl-4-[2-(trifluoromethyl)imidazol-1-yl]thieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158380075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).