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

C17H18F4N6OS — CID 58334279

IUPAC2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1
InChIInChI=1S/C17H18F4N6OS/c1-2-3-10-8-11-13(22-16(28-7-4-18)23-14(11)29-10)26-5-6-27-12(9-26)24-25-15(27)17(19,20)21/h8H,2-7,9H2,1H3
InChIKeyHLYYVFXMGAFHAI-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.62
Rot. Bonds6

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

2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58334279) has the molecular formula C17H18F4N6OS and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID58334279
Molecular FormulaC17H18F4N6OS
Molecular Weight430.43 g/mol
Exact Mass430.12
IUPAC Name2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1
InChIInChI=1S/C17H18F4N6OS/c1-2-3-10-8-11-13(22-16(28-7-4-18)23-14(11)29-10)26-5-6-27-12(9-26)24-25-15(27)17(19,20)21/h8H,2-7,9H2,1H3
InChIKeyHLYYVFXMGAFHAI-UHFFFAOYSA-N
XLogP3.62
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58334279) is 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCF)nc2s1.
What is the InChIKey of 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is HLYYVFXMGAFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N6OS/c1-2-3-10-8-11-13(22-16(28-7-4-18)23-14(11)29-10)26-5-6-27-12(9-26)24-25-15(27)17(19,20)21/h8H,2-7,9H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 430.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 58334279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).