4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile

C92H94F12N20OS4 — CID 164957790

IUPAC4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile
SMILESCc1c(CN2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)ccc2[nH]c(C#N)cc12.FC(F)(F)Cc1cc2c(N3CCC4(CCN(CC5CCOC5)C4)C3)ncnc2s1.N#Cc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.N#Cc1cccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)c1
InChIInChI=1S/C26H25F3N6S.2C23H22F3N5S.C20H25F3N4OS/c1-16-17(2-3-22-20(16)8-18(11-30)33-22)12-34-6-4-25(13-34)5-7-35(14-25)23-21-9-19(10-26(27,28)29)36-24(21)32-15-31-23;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-8-6-22(14-31)5-7-30(13-22)12-17-3-1-16(11-27)2-4-17;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-7-5-22(14-31)4-6-30(13-22)12-17-3-1-2-16(8-17)11-27;21-20(22,23)8-15-7-16-17(24-13-25-18(16)29-15)27-5-3-19(12-27)2-4-26(11-19)9-14-1-6-28-10-14/h2-3,8-9,15,33H,4-7,10,12-14H2,1H3;1-4,9,15H,5-8,10,12-14H2;1-3,8-9,15H,4-7,10,12-14H2;7,13-14H,1-6,8-12H2/t25-;;;/m1.../s1
InChIKeyBKINOXQZGQCDDE-HZKZUFNGSA-N
MW1852.15 g/mol
LogP18.84
Rot. Bonds16

About 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile

4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile (PubChem CID 164957790) has the molecular formula C92H94F12N20OS4 and a molecular weight of 1852.15 g/mol. Its IUPAC name is 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile
PubChem CID164957790
Molecular FormulaC92H94F12N20OS4
Molecular Weight1852.15 g/mol
Exact Mass1850.66
IUPAC Name4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile
SMILESCc1c(CN2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)ccc2[nH]c(C#N)cc12.FC(F)(F)Cc1cc2c(N3CCC4(CCN(CC5CCOC5)C4)C3)ncnc2s1.N#Cc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.N#Cc1cccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)c1
InChIInChI=1S/C26H25F3N6S.2C23H22F3N5S.C20H25F3N4OS/c1-16-17(2-3-22-20(16)8-18(11-30)33-22)12-34-6-4-25(13-34)5-7-35(14-25)23-21-9-19(10-26(27,28)29)36-24(21)32-15-31-23;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-8-6-22(14-31)5-7-30(13-22)12-17-3-1-16(11-27)2-4-17;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-7-5-22(14-31)4-6-30(13-22)12-17-3-1-2-16(8-17)11-27;21-20(22,23)8-15-7-16-17(24-13-25-18(16)29-15)27-5-3-19(12-27)2-4-26(11-19)9-14-1-6-28-10-14/h2-3,8-9,15,33H,4-7,10,12-14H2,1H3;1-4,9,15H,5-8,10,12-14H2;1-3,8-9,15H,4-7,10,12-14H2;7,13-14H,1-6,8-12H2/t25-;;;/m1.../s1
InChIKeyBKINOXQZGQCDDE-HZKZUFNGSA-N
XLogP18.84
TPSA225.43 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.15
LogP ≤ 518.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile with MolForge

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Related Compounds

1-[2-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 118950401
4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile
CID 129286156
4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile
CID 129286199
4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-indole-2-carbonitrile
CID 129286206
4-methyl-5-[[(5S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile
CID 129286291
4-methyl-5-[[8-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1H-indole-2-carbonitrile
CID 129286327
1-[2-(2,8-Diazaspiro[4.5]decan-8-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 130376129
1-[2-(2,7-Diazaspiro[4.5]decan-7-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 130376143
1-[2-(2,7-Diazaspiro[4.4]nonan-2-yl)ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 130380757
4-[1-[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]propan-2-yl]-N-(morpholin-4-ylmethyl)piperazine-1-sulfonamide
CID 130440705
1-[(2S)-2-[4-(4,5-dihydro-1,3-oxazol-2-yl)piperazin-1-yl]propyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 138497435
4-Methyl-5-[[2-[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-(oxan-4-ylmethyl)indole-2-carbonitrile
CID 138497597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile?
The IUPAC name of 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile (CID 164957790) is 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile.
What is the SMILES notation for 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile?
The canonical SMILES for 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile is Cc1c(CN2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)ccc2[nH]c(C#N)cc12.FC(F)(F)Cc1cc2c(N3CCC4(CCN(CC5CCOC5)C4)C3)ncnc2s1.N#Cc1ccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.N#Cc1cccc(CN2CCC3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)c1.
What is the InChIKey of 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile?
The InChIKey is BKINOXQZGQCDDE-HZKZUFNGSA-N. The full InChI is InChI=1S/C26H25F3N6S.2C23H22F3N5S.C20H25F3N4OS/c1-16-17(2-3-22-20(16)8-18(11-30)33-22)12-34-6-4-25(13-34)5-7-35(14-25)23-21-9-19(10-26(27,28)29)36-24(21)32-15-31-23;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-8-6-22(14-31)5-7-30(13-22)12-17-3-1-16(11-27)2-4-17;24-23(25,26)10-18-9-19-20(28-15-29-21(19)32-18)31-7-5-22(14-31)4-6-30(13-22)12-17-3-1-2-16(8-17)11-27;21-20(22,23)8-15-7-16-17(24-13-25-18(16)29-15)27-5-3-19(12-27)2-4-26(11-19)9-14-1-6-28-10-14/h2-3,8-9,15,33H,4-7,10,12-14H2,1H3;1-4,9,15H,5-8,10,12-14H2;1-3,8-9,15H,4-7,10,12-14H2;7,13-14H,1-6,8-12H2/t25-;;;/m1.../s1.
What are the key properties of 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile?
4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile has a molecular weight of 1852.15 g/mol, XLogP of 18.84, 16 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[(5R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;4-[7-(oxolan-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;3-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile is sourced from PubChem (CID 164957790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).