N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one

C137H191N35O8S5 — CID 159917106

About N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one

N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one (PubChem CID 159917106) has the molecular formula C137H191N35O8S5 and a molecular weight of 2616.61 g/mol. Its IUPAC name is N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one.

Molecular Properties

• Compound Name: N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one
• PubChem CID: 159917106
• Molecular Formula: C137H191N35O8S5
• Molecular Weight: 2616.61 g/mol
• Exact Mass: 2614.42
• IUPAC Name: N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one
• SMILES: COC(=O)N1C[C@H]2C[C@@H]1CN2C1CCC(Nc2nc(Cc3cnn(C4CCOCC4)c3)nc3scc(C)c23)CC1.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC(=O)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC(C)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC5(CC5)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNCC4C)CC3)c12
• InChI: InChI=1S/C29H39N7O3S.C28H39N7OS.2C27H39N7OS.C26H35N7O2S/c1-18-17-40-28-26(18)27(32-25(33-28)11-19-13-30-36(14-19)22-7-9-39-10-8-22)31-20-3-5-21(6-4-20)34-15-24-12-23(34)16-35(24)29(37)38-2;1-19-17-37-27-25(19)26(31-21-2-4-22(5-3-21)34-11-10-29-28(18-34)8-9-28)32-24(33-27)14-20-15-30-35(16-20)23-6-12-36-13-7-23;1-18-17-36-27-25(18)26(30-21-3-5-22(6-4-21)33-10-9-28-19(2)15-33)31-24(32-27)13-20-14-29-34(16-20)23-7-11-35-12-8-23;1-18-17-36-27-25(18)26(30-21-3-5-22(6-4-21)33-10-9-28-14-19(33)2)31-24(32-27)13-20-15-29-34(16-20)23-7-11-35-12-8-23;1-17-16-36-26-24(17)25(29-19-2-4-20(5-3-19)32-9-8-27-23(34)15-32)30-22(31-26)12-18-13-28-33(14-18)21-6-10-35-11-7-21/h13-14,17,20-24H,3-12,15-16H2,1-2H3,(H,31,32,33);15-17,21-23,29H,2-14,18H2,1H3,(H,31,32,33);14,16-17,19,21-23,28H,3-13,15H2,1-2H3,(H,30,31,32);15-17,19,21-23,28H,3-14H2,1-2H3,(H,30,31,32);13-14,16,19-21H,2-12,15H2,1H3,(H,27,34)(H,29,30,31)/t20?,21?,23-,24-;;;;/m1..../s1
• InChIKey: NXXPSCVNQVPVIB-SWPPZCLASA-N
• XLogP: 20.29
• TPSA: 435.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 46
• Rotatable Bonds: 30
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2616.61
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one?

The IUPAC name of N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one (CID 159917106) is N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one.

What is the SMILES notation for N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one?

The canonical SMILES for N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one is COC(=O)N1C[C@H]2C[C@@H]1CN2C1CCC(Nc2nc(Cc3cnn(C4CCOCC4)c3)nc3scc(C)c23)CC1.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC(=O)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC(C)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNC5(CC5)C4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCNCC4C)CC3)c12.

What is the InChIKey of N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one?

The InChIKey is NXXPSCVNQVPVIB-SWPPZCLASA-N. The full InChI is InChI=1S/C29H39N7O3S.C28H39N7OS.2C27H39N7OS.C26H35N7O2S/c1-18-17-40-28-26(18)27(32-25(33-28)11-19-13-30-36(14-19)22-7-9-39-10-8-22)31-20-3-5-21(6-4-20)34-15-24-12-23(34)16-35(24)29(37)38-2;1-19-17-37-27-25(19)26(31-21-2-4-22(5-3-21)34-11-10-29-28(18-34)8-9-28)32-24(33-27)14-20-15-30-35(16-20)23-6-12-36-13-7-23;1-18-17-36-27-25(18)26(30-21-3-5-22(6-4-21)33-10-9-28-19(2)15-33)31-24(32-27)13-20-14-29-34(16-20)23-7-11-35-12-8-23;1-18-17-36-27-25(18)26(30-21-3-5-22(6-4-21)33-10-9-28-14-19(33)2)31-24(32-27)13-20-15-29-34(16-20)23-7-11-35-12-8-23;1-17-16-36-26-24(17)25(29-19-2-4-20(5-3-19)32-9-8-27-23(34)15-32)30-22(31-26)12-18-13-28-33(14-18)21-6-10-35-11-7-21/h13-14,17,20-24H,3-12,15-16H2,1-2H3,(H,31,32,33);15-17,21-23,29H,2-14,18H2,1H3,(H,31,32,33);14,16-17,19,21-23,28H,3-13,15H2,1-2H3,(H,30,31,32);15-17,19,21-23,28H,3-14H2,1-2H3,(H,30,31,32);13-14,16,19-21H,2-12,15H2,1H3,(H,27,34)(H,29,30,31)/t20?,21?,23-,24-;;;;/m1..../s1.

What are the key properties of N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one?

N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one has a molecular weight of 2616.61 g/mol, XLogP of 20.29, 30 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4,7-diazaspiro[2.5]octan-7-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl (1R,4R)-5-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;5-methyl-N-[4-(2-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(3-methylpiperazin-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazin-2-one is sourced from PubChem (CID 159917106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).