N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone

C189H265N49O15S7 — CID 158165992

About N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone

N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 158165992) has the molecular formula C189H265N49O15S7 and a molecular weight of 3688.00 g/mol. Its IUPAC name is N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone
• PubChem CID: 158165992
• Molecular Formula: C189H265N49O15S7
• Molecular Weight: 3688.00 g/mol
• Exact Mass: 3684.95
• IUPAC Name: N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone
• SMILES: CC(=O)N1CCCN(C2CCC(Nc3nc(Cc4cnn(C5CCOCC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn(C)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn(C5CCOC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn([C@@H]5CCOC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn([C@H]5CCOC5)c4)nc4scc(C)c34)CC2)CC1.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCCN(C)CC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCCNCC4)CC3)c12
• InChI: InChI=1S/C29H41N7O2S.C28H41N7OS.3C27H37N7O3S.C27H39N7OS.C24H33N7O2S/c1-20-19-39-29-27(20)28(32-26(33-29)16-22-17-30-36(18-22)25-8-14-38-15-9-25)31-23-4-6-24(7-5-23)35-11-3-10-34(12-13-35)21(2)37;1-20-19-37-28-26(20)27(30-22-4-6-23(7-5-22)34-11-3-10-33(2)12-13-34)31-25(32-28)16-21-17-29-35(18-21)24-8-14-36-15-9-24;3*1-18-17-38-26-24(18)25(30-23(31-26)13-19-14-28-34(15-19)22-7-12-37-16-22)29-20-3-5-21(6-4-20)32-8-10-33(11-9-32)27(35)36-2;1-19-18-36-27-25(19)26(30-21-3-5-22(6-4-21)33-11-2-9-28-10-12-33)31-24(32-27)15-20-16-29-34(17-20)23-7-13-35-14-8-23;1-16-15-34-23-21(16)22(27-20(28-23)12-17-13-25-29(2)14-17)26-18-4-6-19(7-5-18)30-8-10-31(11-9-30)24(32)33-3/h17-19,23-25H,3-16H2,1-2H3,(H,31,32,33);17-19,22-24H,3-16H2,1-2H3,(H,30,31,32);3*14-15,17,20-22H,3-13,16H2,1-2H3,(H,29,30,31);16-18,21-23,28H,2-15H2,1H3,(H,30,31,32);13-15,18-19H,4-12H2,1-3H3,(H,26,27,28)/t;;2*20?,21?,22-;;;/m..10.../s1
• InChIKey: FWVRHJWHJBSZKE-YFJJQXGESA-N
• XLogP: 28.07
• TPSA: 621.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 66
• Rotatable Bonds: 41
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3688.00
LogP ≤ 5	28.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone?

The IUPAC name of N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone (CID 158165992) is N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone.

What is the SMILES notation for N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone?

The canonical SMILES for N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C2CCC(Nc3nc(Cc4cnn(C5CCOCC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn(C)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn(C5CCOC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn([C@@H]5CCOC5)c4)nc4scc(C)c34)CC2)CC1.COC(=O)N1CCN(C2CCC(Nc3nc(Cc4cnn([C@H]5CCOC5)c4)nc4scc(C)c34)CC2)CC1.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCCN(C)CC4)CC3)c12.Cc1csc2nc(Cc3cnn(C4CCOCC4)c3)nc(NC3CCC(N4CCCNCC4)CC3)c12.

What is the InChIKey of N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone?

The InChIKey is FWVRHJWHJBSZKE-YFJJQXGESA-N. The full InChI is InChI=1S/C29H41N7O2S.C28H41N7OS.3C27H37N7O3S.C27H39N7OS.C24H33N7O2S/c1-20-19-39-29-27(20)28(32-26(33-29)16-22-17-30-36(18-22)25-8-14-38-15-9-25)31-23-4-6-24(7-5-23)35-11-3-10-34(12-13-35)21(2)37;1-20-19-37-28-26(20)27(30-22-4-6-23(7-5-22)34-11-3-10-33(2)12-13-34)31-25(32-28)16-21-17-29-35(18-21)24-8-14-36-15-9-24;3*1-18-17-38-26-24(18)25(30-23(31-26)13-19-14-28-34(15-19)22-7-12-37-16-22)29-20-3-5-21(6-4-20)32-8-10-33(11-9-32)27(35)36-2;1-19-18-36-27-25(19)26(30-21-3-5-22(6-4-21)33-11-2-9-28-10-12-33)31-24(32-27)15-20-16-29-34(17-20)23-7-13-35-14-8-23;1-16-15-34-23-21(16)22(27-20(28-23)12-17-13-25-29(2)14-17)26-18-4-6-19(7-5-18)30-8-10-31(11-9-30)24(32)33-3/h17-19,23-25H,3-16H2,1-2H3,(H,31,32,33);17-19,22-24H,3-16H2,1-2H3,(H,30,31,32);3*14-15,17,20-22H,3-13,16H2,1-2H3,(H,29,30,31);16-18,21-23,28H,2-15H2,1H3,(H,30,31,32);13-15,18-19H,4-12H2,1-3H3,(H,26,27,28)/t;;2*20?,21?,22-;;;/m..10.../s1.

What are the key properties of N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone?

N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 3688.00 g/mol, XLogP of 28.07, 41 rotatable bonds, 8 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,4-diazepan-1-yl)cyclohexyl]-5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;5-methyl-N-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine;methyl 4-[4-[[5-methyl-2-[(1-methylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;methyl 4-[4-[[5-methyl-2-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate;1-[4-[4-[[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 158165992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).