4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C26H29F3N6O3S2 — CID 24937009

IUPAC4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)c1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC(F)(F)F)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H29F3N6O3S2/c1-40(36,37)18-13-20(19-2-3-30-21(19)14-18)24-31-22-12-17(15-33-4-6-34(7-5-33)16-26(27,28)29)39-23(22)25(32-24)35-8-10-38-11-9-35/h2-3,12-14,30H,4-11,15-16H2,1H3
InChIKeyGRFKOVCIDGBKSC-UHFFFAOYSA-N
MW594.69 g/mol
LogP3.76
Rot. Bonds6

About 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 24937009) has the molecular formula C26H29F3N6O3S2 and a molecular weight of 594.69 g/mol. Its IUPAC name is 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24937009
Molecular FormulaC26H29F3N6O3S2
Molecular Weight594.69 g/mol
Exact Mass594.17
IUPAC Name4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)c1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC(F)(F)F)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C26H29F3N6O3S2/c1-40(36,37)18-13-20(19-2-3-30-21(19)14-18)24-31-22-12-17(15-33-4-6-34(7-5-33)16-26(27,28)29)39-23(22)25(32-24)35-8-10-38-11-9-35/h2-3,12-14,30H,4-11,15-16H2,1H3
InChIKeyGRFKOVCIDGBKSC-UHFFFAOYSA-N
XLogP3.76
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
4-[2-(6-methoxy-1H-indol-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24938257
4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-1H-indole-6-carbonitrile
CID 24936486
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936354
4-[2-(1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59151321
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 59151261
3-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-ol
CID 59151270
4-[2-(1H-indol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936351
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 67189129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 24937009) is 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is CS(=O)(=O)c1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC(F)(F)F)CC4)cc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is GRFKOVCIDGBKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O3S2/c1-40(36,37)18-13-20(19-2-3-30-21(19)14-18)24-31-22-12-17(15-33-4-6-34(7-5-33)16-26(27,28)29)39-23(22)25(32-24)35-8-10-38-11-9-35/h2-3,12-14,30H,4-11,15-16H2,1H3.
What are the key properties of 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 594.69 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24937009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).