2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine

C115H138N20O5S4 — CID 162262353

About 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine

2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine (PubChem CID 162262353) has the molecular formula C115H138N20O5S4 and a molecular weight of 2008.77 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine
• PubChem CID: 162262353
• Molecular Formula: C115H138N20O5S4
• Molecular Weight: 2008.77 g/mol
• Exact Mass: 2007.00
• IUPAC Name: 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine
• SMILES: C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCOCC5)CC4)csc23)C1.C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCN(C5CCOCC5)CC4)csc23)C1.C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCN(C5COC5)CC4)csc23)C1.O=C(CO)N1CCN(Cc2csc3c(-c4cccc5c4C=CC5)nc(N4CCCCC4)nc23)CC1
• InChI: InChI=1S/2C30H37N5OS.C28H33N5OS.C27H31N5O2S/c1-2-12-35(13-3-1)30-31-27-23(20-33-14-16-34(17-15-33)24-10-18-36-19-11-24)21-37-29(27)28(32-30)26-9-5-7-22-6-4-8-25(22)26;1-2-12-35(13-3-1)30-31-27-23(20-33-14-10-24(11-15-33)34-16-18-36-19-17-34)21-37-29(27)28(32-30)26-9-5-7-22-6-4-8-25(22)26;1-2-10-33(11-3-1)28-29-25-21(16-31-12-14-32(15-13-31)22-17-34-18-22)19-35-27(25)26(30-28)24-9-5-7-20-6-4-8-23(20)24;33-17-23(34)31-14-12-30(13-15-31)16-20-18-35-26-24(20)28-27(32-10-2-1-3-11-32)29-25(26)22-9-5-7-19-6-4-8-21(19)22/h2*4-5,7-9,21,24H,1-3,6,10-20H2;4-5,7-9,19,22H,1-3,6,10-18H2;4-5,7-9,18,33H,1-3,6,10-17H2
• InChIKey: ZZKQFGOIJIJDNR-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 206.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.77
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine?

The IUPAC name of 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine (CID 162262353) is 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine.

What is the SMILES notation for 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine?

The canonical SMILES for 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine is C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCC(N5CCOCC5)CC4)csc23)C1.C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCN(C5CCOCC5)CC4)csc23)C1.C1=Cc2c(cccc2-c2nc(N3CCCCC3)nc3c(CN4CCN(C5COC5)CC4)csc23)C1.O=C(CO)N1CCN(Cc2csc3c(-c4cccc5c4C=CC5)nc(N4CCCCC4)nc23)CC1.

What is the InChIKey of 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine?

The InChIKey is ZZKQFGOIJIJDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H37N5OS.C28H33N5OS.C27H31N5O2S/c1-2-12-35(13-3-1)30-31-27-23(20-33-14-16-34(17-15-33)24-10-18-36-19-11-24)21-37-29(27)28(32-30)26-9-5-7-22-6-4-8-25(22)26;1-2-12-35(13-3-1)30-31-27-23(20-33-14-10-24(11-15-33)34-16-18-36-19-17-34)21-37-29(27)28(32-30)26-9-5-7-22-6-4-8-25(22)26;1-2-10-33(11-3-1)28-29-25-21(16-31-12-14-32(15-13-31)22-17-34-18-22)19-35-27(25)26(30-28)24-9-5-7-20-6-4-8-23(20)24;33-17-23(34)31-14-12-30(13-15-31)16-20-18-35-26-24(20)28-27(32-10-2-1-3-11-32)29-25(26)22-9-5-7-19-6-4-8-21(19)22/h2*4-5,7-9,21,24H,1-3,6,10-20H2;4-5,7-9,19,22H,1-3,6,10-18H2;4-5,7-9,18,33H,1-3,6,10-17H2.

What are the key properties of 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine?

2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine has a molecular weight of 2008.77 g/mol, XLogP of 18.42, 20 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-(1H-inden-4-yl)-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-(1H-inden-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[1-[[4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 162262353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).