N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide

C177H202F15N39O5S5 — CID 159323466

About N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide

N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 159323466) has the molecular formula C177H202F15N39O5S5 and a molecular weight of 3401.14 g/mol. Its IUPAC name is N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

• Compound Name: N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide
• PubChem CID: 159323466
• Molecular Formula: C177H202F15N39O5S5
• Molecular Weight: 3401.14 g/mol
• Exact Mass: 3398.51
• IUPAC Name: N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide
• SMILES: CCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6nc(C)nc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.CCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6nc(N)nc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CCN3CCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CN3CCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CN3CCCCC3)(C1)C2
• InChI: InChI=1S/2C37H43F3N8OS.C36H41F3N8OS.C34H38F3N7OS.C33H37F3N8OS/c1-24-25(18-47-11-6-26(7-12-47)44-33-30-15-28(16-37(38,39)40)50-34(30)43-23-42-33)4-5-31-29(24)14-27(17-41)48(31)22-35-19-36(20-35,21-35)45-32(49)8-13-46-9-2-3-10-46;1-24-25(17-47-11-7-26(8-12-47)44-33-30-14-28(15-37(38,39)40)50-34(30)43-23-42-33)5-6-31-29(24)13-27(16-41)48(31)22-35-19-36(20-35,21-35)45-32(49)18-46-9-3-2-4-10-46;1-23-24(16-46-10-6-25(7-11-46)43-32-29-13-27(14-36(37,38)39)49-33(29)42-22-41-32)4-5-30-28(23)12-26(15-40)47(30)21-34-18-35(19-34,20-34)44-31(48)17-45-8-2-3-9-45;1-4-29(45)42-33-16-32(17-33,18-33)19-44-24(14-38)11-26-20(2)22(5-6-28(26)44)15-43-9-7-23(8-10-43)41-30-27-12-25(13-34(35,36)37)46-31(27)40-21(3)39-30;1-3-27(45)42-32-15-31(16-32,17-32)18-44-22(13-37)10-24-19(2)20(4-5-26(24)44)14-43-8-6-21(7-9-43)39-28-25-11-23(12-33(34,35)36)46-29(25)41-30(38)40-28/h4-5,14-15,23,26H,2-3,6-13,16,18-22H2,1H3,(H,45,49)(H,42,43,44);5-6,13-14,23,26H,2-4,7-12,15,17-22H2,1H3,(H,45,49)(H,42,43,44);4-5,12-13,22,25H,2-3,6-11,14,16-21H2,1H3,(H,44,48)(H,41,42,43);5-6,11-12,23H,4,7-10,13,15-19H2,1-3H3,(H,42,45)(H,39,40,41);4-5,10-11,21H,3,6-9,12,14-18H2,1-2H3,(H,42,45)(H3,38,39,40,41)
• InChIKey: LEBGNTCRLWJCKJ-UHFFFAOYSA-N
• XLogP: 32.01
• TPSA: 530.09 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 49
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3401.14
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide?

The IUPAC name of N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide (CID 159323466) is N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide.

What is the SMILES notation for N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide?

The canonical SMILES for N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide is CCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6nc(C)nc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.CCC(=O)NC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6nc(N)nc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CCN3CCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CN3CCCC3)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(NC(=O)CN3CCCCC3)(C1)C2.

What is the InChIKey of N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide?

The InChIKey is LEBGNTCRLWJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H43F3N8OS.C36H41F3N8OS.C34H38F3N7OS.C33H37F3N8OS/c1-24-25(18-47-11-6-26(7-12-47)44-33-30-15-28(16-37(38,39)40)50-34(30)43-23-42-33)4-5-31-29(24)14-27(17-41)48(31)22-35-19-36(20-35,21-35)45-32(49)8-13-46-9-2-3-10-46;1-24-25(17-47-11-7-26(8-12-47)44-33-30-14-28(15-37(38,39)40)50-34(30)43-23-42-33)5-6-31-29(24)13-27(16-41)48(31)22-35-19-36(20-35,21-35)45-32(49)18-46-9-3-2-4-10-46;1-23-24(16-46-10-6-25(7-11-46)43-32-29-13-27(14-36(37,38)39)49-33(29)42-22-41-32)4-5-30-28(23)12-26(15-40)47(30)21-34-18-35(19-34,20-34)44-31(48)17-45-8-2-3-9-45;1-4-29(45)42-33-16-32(17-33,18-33)19-44-24(14-38)11-26-20(2)22(5-6-28(26)44)15-43-9-7-23(8-10-43)41-30-27-12-25(13-34(35,36)37)46-31(27)40-21(3)39-30;1-3-27(45)42-32-15-31(16-32,17-32)18-44-22(13-37)10-24-19(2)20(4-5-26(24)44)14-43-8-6-21(7-9-43)39-28-25-11-23(12-33(34,35)36)46-29(25)41-30(38)40-28/h4-5,14-15,23,26H,2-3,6-13,16,18-22H2,1H3,(H,45,49)(H,42,43,44);5-6,13-14,23,26H,2-4,7-12,15,17-22H2,1H3,(H,45,49)(H,42,43,44);4-5,12-13,22,25H,2-3,6-11,14,16-21H2,1H3,(H,44,48)(H,41,42,43);5-6,11-12,23H,4,7-10,13,15-19H2,1-3H3,(H,42,45)(H,39,40,41);4-5,10-11,21H,3,6-9,12,14-18H2,1-2H3,(H,42,45)(H3,38,39,40,41).

What are the key properties of N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide?

N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 3401.14 g/mol, XLogP of 32.01, 49 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-[[4-[[2-amino-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-2-cyano-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-piperidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-2-pyrrolidin-1-ylacetamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 159323466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).