2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol

C20H21F3N8OS — CID 141258239

IUPAC2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3cnc(CCO)[nH]3)nc2s1
InChIInChI=1S/C20H21F3N8OS/c1-2-3-11-8-12-17(30-5-6-31-15(10-30)28-29-19(31)20(21,22)23)26-16(27-18(12)33-11)13-9-24-14(25-13)4-7-32/h8-9,32H,2-7,10H2,1H3,(H,24,25)
InChIKeyFIOABFALVINOIL-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.20
Rot. Bonds6

About 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol

2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol (PubChem CID 141258239) has the molecular formula C20H21F3N8OS and a molecular weight of 478.50 g/mol. Its IUPAC name is 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol
PubChem CID141258239
Molecular FormulaC20H21F3N8OS
Molecular Weight478.50 g/mol
Exact Mass478.15
IUPAC Name2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3cnc(CCO)[nH]3)nc2s1
InChIInChI=1S/C20H21F3N8OS/c1-2-3-11-8-12-17(30-5-6-31-15(10-30)28-29-19(31)20(21,22)23)26-16(27-18(12)33-11)13-9-24-14(25-13)4-7-32/h8-9,32H,2-7,10H2,1H3,(H,24,25)
InChIKeyFIOABFALVINOIL-UHFFFAOYSA-N
XLogP3.20
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol 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 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol (CID 141258239) is 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-c3cnc(CCO)[nH]3)nc2s1.
What is the InChIKey of 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol?
The InChIKey is FIOABFALVINOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N8OS/c1-2-3-11-8-12-17(30-5-6-31-15(10-30)28-29-19(31)20(21,22)23)26-16(27-18(12)33-11)13-9-24-14(25-13)4-7-32/h8-9,32H,2-7,10H2,1H3,(H,24,25).
What are the key properties of 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol?
2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol has a molecular weight of 478.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 141258239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).