N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile

C142H159F12N27O6S5 — CID 157226943

IUPACN-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile
SMILESCCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(CS(C)(=O)=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(C(O)C(F)(F)F)sc2n1.[2H]C([2H])([2H])Cc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.[2H]C([2H])(c1cc2c(NC3CCN(Cc4ccc5c(cc(C#N)n5CC56CC(NC(=O)C7CC7)(C5)C6)c4C)CC3)nc(CC)nc2s1)C(F)(F)F
InChIInChI=1S/C36H40F3N7O2S.2C36H40F3N7OS.C34H39F3N6O2S2/c1-3-29-42-31(26-13-28(49-33(26)43-29)30(47)36(37,38)39)41-23-8-10-45(11-9-23)15-22-6-7-27-25(20(22)2)12-24(14-40)46(27)19-34-16-35(17-34,18-34)44-32(48)21-4-5-21;2*1-3-30-42-31(28-13-26(14-36(37,38)39)48-33(28)43-30)41-24-8-10-45(11-9-24)16-23-6-7-29-27(21(23)2)12-25(15-40)46(29)20-34-17-35(18-34,19-34)44-32(47)22-4-5-22;1-4-29-40-30(27-12-25(13-34(35,36)37)46-31(27)41-29)39-23-7-9-42(10-8-23)15-22-5-6-28-26(21(22)2)11-24(14-38)43(28)19-32-16-33(17-32,18-32)20-47(3,44)45/h6-7,12-13,21,23,30,47H,3-5,8-11,15-19H2,1-2H3,(H,44,48)(H,41,42,43);2*6-7,12-13,22,24H,3-5,8-11,14,16-20H2,1-2H3,(H,44,47)(H,41,42,43);5-6,11-12,23H,4,7-10,13,15-20H2,1-3H3,(H,39,40,41)/i;14D2;1D3;
InChIKeyATQOHHYRDPCONM-IPORKDHPSA-N
MW2733.36 g/mol
LogP27.33
Rot. Bonds41

About N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile

N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile (PubChem CID 157226943) has the molecular formula C142H159F12N27O6S5 and a molecular weight of 2733.36 g/mol. Its IUPAC name is N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile.

Molecular Properties

Compound NameN-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile
PubChem CID157226943
Molecular FormulaC142H159F12N27O6S5
Molecular Weight2733.36 g/mol
Exact Mass2731.17
IUPAC NameN-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile
SMILESCCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(CS(C)(=O)=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(C(O)C(F)(F)F)sc2n1.[2H]C([2H])([2H])Cc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.[2H]C([2H])(c1cc2c(NC3CCN(Cc4ccc5c(cc(C#N)n5CC56CC(NC(=O)C7CC7)(C5)C6)c4C)CC3)nc(CC)nc2s1)C(F)(F)F
InChIInChI=1S/C36H40F3N7O2S.2C36H40F3N7OS.C34H39F3N6O2S2/c1-3-29-42-31(26-13-28(49-33(26)43-29)30(47)36(37,38)39)41-23-8-10-45(11-9-23)15-22-6-7-27-25(20(22)2)12-24(14-40)46(27)19-34-16-35(17-34,18-34)44-32(48)21-4-5-21;2*1-3-30-42-31(28-13-26(14-36(37,38)39)48-33(28)43-30)41-24-8-10-45(11-9-24)16-23-6-7-29-27(21(23)2)12-25(15-40)46(29)20-34-17-35(18-34,19-34)44-32(47)22-4-5-22;1-4-29-40-30(27-12-25(13-34(35,36)37)46-31(27)41-29)39-23-7-9-42(10-8-23)15-22-5-6-28-26(21(22)2)11-24(14-38)43(28)19-32-16-33(17-32,18-32)20-47(3,44)45/h6-7,12-13,21,23,30,47H,3-5,8-11,15-19H2,1-2H3,(H,44,48)(H,41,42,43);2*6-7,12-13,22,24H,3-5,8-11,14,16-20H2,1-2H3,(H,44,47)(H,41,42,43);5-6,11-12,23H,4,7-10,13,15-20H2,1-3H3,(H,39,40,41)/i;14D2;1D3;
InChIKeyATQOHHYRDPCONM-IPORKDHPSA-N
XLogP27.33
TPSA420.75 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002733.36
LogP ≤ 527.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile?
The IUPAC name of N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile (CID 157226943) is N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile.
What is the SMILES notation for N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile?
The canonical SMILES for N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile is CCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(CS(C)(=O)=O)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.CCc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(C(O)C(F)(F)F)sc2n1.[2H]C([2H])([2H])Cc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4CC45CC(NC(=O)C6CC6)(C4)C5)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.[2H]C([2H])(c1cc2c(NC3CCN(Cc4ccc5c(cc(C#N)n5CC56CC(NC(=O)C7CC7)(C5)C6)c4C)CC3)nc(CC)nc2s1)C(F)(F)F.
What is the InChIKey of N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile?
The InChIKey is ATQOHHYRDPCONM-IPORKDHPSA-N. The full InChI is InChI=1S/C36H40F3N7O2S.2C36H40F3N7OS.C34H39F3N6O2S2/c1-3-29-42-31(26-13-28(49-33(26)43-29)30(47)36(37,38)39)41-23-8-10-45(11-9-23)15-22-6-7-27-25(20(22)2)12-24(14-40)46(27)19-34-16-35(17-34,18-34)44-32(48)21-4-5-21;2*1-3-30-42-31(28-13-26(14-36(37,38)39)48-33(28)43-30)41-24-8-10-45(11-9-24)16-23-6-7-29-27(21(23)2)12-25(15-40)46(29)20-34-17-35(18-34,19-34)44-32(47)22-4-5-22;1-4-29-40-30(27-12-25(13-34(35,36)37)46-31(27)41-29)39-23-7-9-42(10-8-23)15-22-5-6-28-26(21(22)2)11-24(14-38)43(28)19-32-16-33(17-32,18-32)20-47(3,44)45/h6-7,12-13,21,23,30,47H,3-5,8-11,15-19H2,1-2H3,(H,44,48)(H,41,42,43);2*6-7,12-13,22,24H,3-5,8-11,14,16-20H2,1-2H3,(H,44,47)(H,41,42,43);5-6,11-12,23H,4,7-10,13,15-20H2,1-3H3,(H,39,40,41)/i;14D2;1D3;.
What are the key properties of N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile?
N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile has a molecular weight of 2733.36 g/mol, XLogP of 27.33, 41 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-cyano-5-[[4-[[6-(1,1-dideuterio-2,2,2-trifluoroethyl)-2-ethylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-5-[[4-[[2-ethyl-6-(2,2,2-trifluoro-1-hydroxyethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methylindol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]cyclopropanecarboxamide;N-[3-[[2-cyano-4-methyl-5-[[4-[[2-(2,2,2-trideuterioethyl)-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]cyclopropanecarboxamide;5-[[4-[[2-ethyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[[3-(methylsulfonylmethyl)-1-bicyclo[1.1.1]pentanyl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 157226943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).