2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

C146H155F16N31O3S5 — CID 158315610

IUPAC2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
SMILESCCC(Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21)OC(C)C.CCn1c(C#N)cc2c(C)c(CN3CC[C@@H](Nc4ncnc5sc(CC(F)(F)F)cc45)[C@H](NCCc4ccccc4)C3)ccc21.Cc1cc2c(CO)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)C(NCc4cccc(F)c4)C3)ccc2[nH]1.N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C34H36F3N7S.C30H30F4N6S.C30H35F3N6OS.C28H28F3N7OS.C24H26F3N5OS/c1-3-44-25(18-38)15-27-22(2)24(9-10-31(27)44)19-43-14-12-29(30(20-43)39-13-11-23-7-5-4-6-8-23)42-32-28-16-26(17-34(35,36)37)45-33(28)41-21-40-32;1-18-9-21-10-20(5-6-25(21)38-18)15-40-8-7-26(27(16-40)35-14-19-3-2-4-22(31)11-19)39-28-24-12-23(13-30(32,33)34)41-29(24)37-17-36-28;1-4-24(40-19(2)3)17-39-23(15-34)12-21-11-20(5-6-27(21)39)16-38-9-7-22(8-10-38)37-28-26-13-25(14-30(31,32)33)41-29(26)36-18-35-28;29-28(30,31)12-22-11-23-26(33-16-34-27(23)40-22)36-20-5-7-37(8-6-20)14-17-1-4-24-18(9-17)10-21(13-32)38(24)15-25(39)35-19-2-3-19;1-14-8-18-20(12-33)15(2-3-21(18)30-14)11-32-6-4-16(5-7-32)31-22-19-9-17(10-24(25,26)27)34-23(19)29-13-28-22/h4-10,15-16,21,29-30,39H,3,11-14,17,19-20H2,1-2H3,(H,40,41,42);2-6,9-12,17,26-27,35,38H,7-8,13-16H2,1H3,(H,36,37,39);5-6,11-13,18-19,22,24H,4,7-10,14,16-17H2,1-3H3,(H,35,36,37);1,4,9-11,16,19-20H,2-3,5-8,12,14-15H2,(H,35,39)(H,33,34,36);2-3,8-9,13,16,30,33H,4-7,10-12H2,1H3,(H,28,29,31)/t29-,30-;;;;/m1..../s1
InChIKeyGOFKRADJTHCNLF-ZYOJYBKFSA-N
MW2856.36 g/mol
LogP30.44
Rot. Bonds42

About 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile

2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (PubChem CID 158315610) has the molecular formula C146H155F16N31O3S5 and a molecular weight of 2856.36 g/mol. Its IUPAC name is 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.

Molecular Properties

Compound Name2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
PubChem CID158315610
Molecular FormulaC146H155F16N31O3S5
Molecular Weight2856.36 g/mol
Exact Mass2854.13
IUPAC Name2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
SMILESCCC(Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21)OC(C)C.CCn1c(C#N)cc2c(C)c(CN3CC[C@@H](Nc4ncnc5sc(CC(F)(F)F)cc45)[C@H](NCCc4ccccc4)C3)ccc21.Cc1cc2c(CO)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)C(NCc4cccc(F)c4)C3)ccc2[nH]1.N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C34H36F3N7S.C30H30F4N6S.C30H35F3N6OS.C28H28F3N7OS.C24H26F3N5OS/c1-3-44-25(18-38)15-27-22(2)24(9-10-31(27)44)19-43-14-12-29(30(20-43)39-13-11-23-7-5-4-6-8-23)42-32-28-16-26(17-34(35,36)37)45-33(28)41-21-40-32;1-18-9-21-10-20(5-6-25(21)38-18)15-40-8-7-26(27(16-40)35-14-19-3-2-4-22(31)11-19)39-28-24-12-23(13-30(32,33)34)41-29(24)37-17-36-28;1-4-24(40-19(2)3)17-39-23(15-34)12-21-11-20(5-6-27(21)39)16-38-9-7-22(8-10-38)37-28-26-13-25(14-30(31,32)33)41-29(26)36-18-35-28;29-28(30,31)12-22-11-23-26(33-16-34-27(23)40-22)36-20-5-7-37(8-6-20)14-17-1-4-24-18(9-17)10-21(13-32)38(24)15-25(39)35-19-2-3-19;1-14-8-18-20(12-33)15(2-3-21(18)30-14)11-32-6-4-16(5-7-32)31-22-19-9-17(10-24(25,26)27)34-23(19)29-13-28-22/h4-10,15-16,21,29-30,39H,3,11-14,17,19-20H2,1-2H3,(H,40,41,42);2-6,9-12,17,26-27,35,38H,7-8,13-16H2,1H3,(H,36,37,39);5-6,11-13,18-19,22,24H,4,7-10,14,16-17H2,1-3H3,(H,35,36,37);1,4,9-11,16,19-20H,2-3,5-8,12,14-15H2,(H,35,39)(H,33,34,36);2-3,8-9,13,16,30,33H,4-7,10-12H2,1H3,(H,28,29,31)/t29-,30-;;;;/m1..../s1
InChIKeyGOFKRADJTHCNLF-ZYOJYBKFSA-N
XLogP30.44
TPSA405.61 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.36
LogP ≤ 530.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The IUPAC name of 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile (CID 158315610) is 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile.
What is the SMILES notation for 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The canonical SMILES for 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is CCC(Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21)OC(C)C.CCn1c(C#N)cc2c(C)c(CN3CC[C@@H](Nc4ncnc5sc(CC(F)(F)F)cc45)[C@H](NCCc4ccccc4)C3)ccc21.Cc1cc2c(CO)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1.Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)C(NCc4cccc(F)c4)C3)ccc2[nH]1.N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1CC(=O)NC1CC1.
What is the InChIKey of 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
The InChIKey is GOFKRADJTHCNLF-ZYOJYBKFSA-N. The full InChI is InChI=1S/C34H36F3N7S.C30H30F4N6S.C30H35F3N6OS.C28H28F3N7OS.C24H26F3N5OS/c1-3-44-25(18-38)15-27-22(2)24(9-10-31(27)44)19-43-14-12-29(30(20-43)39-13-11-23-7-5-4-6-8-23)42-32-28-16-26(17-34(35,36)37)45-33(28)41-21-40-32;1-18-9-21-10-20(5-6-25(21)38-18)15-40-8-7-26(27(16-40)35-14-19-3-2-4-22(31)11-19)39-28-24-12-23(13-30(32,33)34)41-29(24)37-17-36-28;1-4-24(40-19(2)3)17-39-23(15-34)12-21-11-20(5-6-27(21)39)16-38-9-7-22(8-10-38)37-28-26-13-25(14-30(31,32)33)41-29(26)36-18-35-28;29-28(30,31)12-22-11-23-26(33-16-34-27(23)40-22)36-20-5-7-37(8-6-20)14-17-1-4-24-18(9-17)10-21(13-32)38(24)15-25(39)35-19-2-3-19;1-14-8-18-20(12-33)15(2-3-21(18)30-14)11-32-6-4-16(5-7-32)31-22-19-9-17(10-24(25,26)27)34-23(19)29-13-28-22/h4-10,15-16,21,29-30,39H,3,11-14,17,19-20H2,1-2H3,(H,40,41,42);2-6,9-12,17,26-27,35,38H,7-8,13-16H2,1H3,(H,36,37,39);5-6,11-13,18-19,22,24H,4,7-10,14,16-17H2,1-3H3,(H,35,36,37);1,4,9-11,16,19-20H,2-3,5-8,12,14-15H2,(H,35,39)(H,33,34,36);2-3,8-9,13,16,30,33H,4-7,10-12H2,1H3,(H,28,29,31)/t29-,30-;;;;/m1..../s1.
What are the key properties of 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile?
2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile has a molecular weight of 2856.36 g/mol, XLogP of 30.44, 42 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]-N-cyclopropylacetamide;1-ethyl-4-methyl-5-[[(3R,4R)-3-(2-phenylethylamino)-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;3-N-[(3-fluorophenyl)methyl]-1-[(2-methyl-1H-indol-5-yl)methyl]-4-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3,4-diamine;[2-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-4-yl]methanol;1-(2-propan-2-yloxybutyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 158315610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).