[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol

C23H24F3N5OS — CID 90453263

IUPAC[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol
SMILESOCc1cccc2c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c[nH]c12
InChIInChI=1S/C23H24F3N5OS/c24-23(25,26)9-17-8-19-21(28-13-29-22(19)33-17)30-16-4-6-31(7-5-16)11-15-10-27-20-14(12-32)2-1-3-18(15)20/h1-3,8,10,13,16,27,32H,4-7,9,11-12H2,(H,28,29,30)
InChIKeyFDGNROOIIKZZHV-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.85
Rot. Bonds6

About [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol

[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol (PubChem CID 90453263) has the molecular formula C23H24F3N5OS and a molecular weight of 475.54 g/mol. Its IUPAC name is [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol.

Molecular Properties

Compound Name[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol
PubChem CID90453263
Molecular FormulaC23H24F3N5OS
Molecular Weight475.54 g/mol
Exact Mass475.17
IUPAC Name[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol
SMILESOCc1cccc2c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c[nH]c12
InChIInChI=1S/C23H24F3N5OS/c24-23(25,26)9-17-8-19-21(28-13-29-22(19)33-17)30-16-4-6-31(7-5-16)11-15-10-27-20-14(12-32)2-1-3-18(15)20/h1-3,8,10,13,16,27,32H,4-7,9,11-12H2,(H,28,29,30)
InChIKeyFDGNROOIIKZZHV-UHFFFAOYSA-N
XLogP4.85
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol?
The IUPAC name of [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol (CID 90453263) is [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol.
What is the SMILES notation for [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol?
The canonical SMILES for [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol is OCc1cccc2c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)c[nH]c12.
What is the InChIKey of [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol?
The InChIKey is FDGNROOIIKZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5OS/c24-23(25,26)9-17-8-19-21(28-13-29-22(19)33-17)30-16-4-6-31(7-5-16)11-15-10-27-20-14(12-32)2-1-3-18(15)20/h1-3,8,10,13,16,27,32H,4-7,9,11-12H2,(H,28,29,30).
What are the key properties of [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol?
[3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol has a molecular weight of 475.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indol-7-yl]methanol is sourced from PubChem (CID 90453263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).