2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one

C100H135N26O4S4+ — CID 158736450

About 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one

2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 158736450) has the molecular formula C100H135N26O4S4+ and a molecular weight of 1893.63 g/mol. Its IUPAC name is 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 158736450
• Molecular Formula: C100H135N26O4S4+
• Molecular Weight: 1893.63 g/mol
• Exact Mass: 1892.00
• IUPAC Name: 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
• SMILES: CC(C)(O)C1CCN(Cc2csc3c(-c4ccnc5c4C=CC5)nc(N4CCCCC4)nc23)CC1.CC(C)C(=O)N1CCN(Cc2csc3c(-c4cnn(C)c4)nc(N4CCCCC4)nc23)CC1.CC1=NC(C)C=[N+]1c1nc(N2CCCCC2)nc2c(CN3CCN(C(=O)C(C)C)CC3)csc12.CCC(=O)N1CCN(Cc2csc3c(-c4cnn(C)c4)nc(N4CCCCC4)nc23)CC1
• InChI: InChI=1S/C28H35N5OS.C25H36N7OS.C24H33N7OS.C23H31N7OS/c1-28(2,34)20-10-15-32(16-11-20)17-19-18-35-26-24(19)30-27(33-13-4-3-5-14-33)31-25(26)22-9-12-29-23-8-6-7-21(22)23;1-17(2)24(33)30-12-10-29(11-13-30)15-20-16-34-22-21(20)27-25(31-8-6-5-7-9-31)28-23(22)32-14-18(3)26-19(32)4;1-17(2)23(32)30-11-9-29(10-12-30)15-19-16-33-22-20(18-13-25-28(3)14-18)26-24(27-21(19)22)31-7-5-4-6-8-31;1-3-19(31)29-11-9-28(10-12-29)15-18-16-32-22-20(17-13-24-27(2)14-17)25-23(26-21(18)22)30-7-5-4-6-8-30/h6-7,9,12,18,20,34H,3-5,8,10-11,13-17H2,1-2H3;14,16-18H,5-13,15H2,1-4H3;13-14,16-17H,4-12,15H2,1-3H3;13-14,16H,3-12,15H2,1-2H3/q;+1
• InChIKey: PZWMTHPWIVPUPE-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 274.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.63
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one (CID 158736450) is 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one is CC(C)(O)C1CCN(Cc2csc3c(-c4ccnc5c4C=CC5)nc(N4CCCCC4)nc23)CC1.CC(C)C(=O)N1CCN(Cc2csc3c(-c4cnn(C)c4)nc(N4CCCCC4)nc23)CC1.CC1=NC(C)C=[N+]1c1nc(N2CCCCC2)nc2c(CN3CCN(C(=O)C(C)C)CC3)csc12.CCC(=O)N1CCN(Cc2csc3c(-c4cnn(C)c4)nc(N4CCCCC4)nc23)CC1.

What is the InChIKey of 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

The InChIKey is PZWMTHPWIVPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5OS.C25H36N7OS.C24H33N7OS.C23H31N7OS/c1-28(2,34)20-10-15-32(16-11-20)17-19-18-35-26-24(19)30-27(33-13-4-3-5-14-33)31-25(26)22-9-12-29-23-8-6-7-21(22)23;1-17(2)24(33)30-12-10-29(11-13-30)15-20-16-34-22-21(20)27-25(31-8-6-5-7-9-31)28-23(22)32-14-18(3)26-19(32)4;1-17(2)23(32)30-11-9-29(10-12-30)15-19-16-33-22-20(18-13-25-28(3)14-18)26-24(27-21(19)22)31-7-5-4-6-8-31;1-3-19(31)29-11-9-28(10-12-29)15-18-16-32-22-20(17-13-24-27(2)14-17)25-23(26-21(18)22)30-7-5-4-6-8-30/h6-7,9,12,18,20,34H,3-5,8,10-11,13-17H2,1-2H3;14,16-18H,5-13,15H2,1-4H3;13-14,16-17H,4-12,15H2,1-3H3;13-14,16H,3-12,15H2,1-2H3/q;+1;;.

What are the key properties of 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one?

2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 1893.63 g/mol, XLogP of 15.33, 20 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol;1-[4-[[4-(2,4-dimethyl-4H-imidazol-1-ium-1-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;2-methyl-1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[4-(1-methylpyrazol-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).