About 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 158956542) has the molecular formula C109H150N22O15S8
and a molecular weight of 2265.07 g/mol. Its IUPAC name is 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
Frequently Asked Questions
What is the IUPAC name of 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 158956542) is 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCC(C(C)(C)O)CC4)csc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C(C)(C)C)CC4)csc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCN(C5CCOCC5)CC4)csc23)cc1CS(C)(=O)=O.COc1ncc(-c2nc(N3CCCCC3)nc3c(CN4CCOCC4)csc23)cc1CS(C)(=O)=O.
What is the InChIKey of 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is JMBNUDIDEYQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O4S2.C28H40N6O3S2.C28H39N5O4S2.C24H31N5O4S2/c1-38-28-22(20-41(2,36)37)16-21(17-30-28)25-27-26(32-29(31-25)35-8-4-3-5-9-35)23(19-40-27)18-33-10-12-34(13-11-33)24-6-14-39-15-7-24;1-28(2,3)34-13-11-32(12-14-34)17-22-18-38-25-23(30-27(31-24(22)25)33-9-7-6-8-10-33)20-15-21(19-39(5,35)36)26(37-4)29-16-20;1-28(2,34)22-8-12-32(13-9-22)16-21-17-38-25-23(30-27(31-24(21)25)33-10-6-5-7-11-33)19-14-20(18-39(4,35)36)26(37-3)29-15-19;1-32-23-18(16-35(2,30)31)12-17(13-25-23)20-22-21(27-24(26-20)29-6-4-3-5-7-29)19(15-34-22)14-28-8-10-33-11-9-28/h16-17,19,24H,3-15,18,20H2,1-2H3;15-16,18H,6-14,17,19H2,1-5H3;14-15,17,22,34H,5-13,16,18H2,1-4H3;12-13,15H,3-11,14,16H2,1-2H3.
What are the key properties of 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 2265.07 g/mol, XLogP of 15.22, 30 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-tert-butylpiperazin-1-yl)methyl]-4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-7-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidine;4-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]morpholine;2-[1-[[4-[6-methoxy-5-(methylsulfonylmethyl)-3-pyridinyl]-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 158956542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).