4-[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]piperazin-2-one

C19H21F3N8OS — CID 46175183

IUPAC4-[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]piperazin-2-one
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1
InChIInChI=1S/C19H21F3N8OS/c1-2-3-11-8-12-15(24-18(25-16(12)32-11)29-5-4-23-14(31)10-29)28-6-7-30-13(9-28)26-27-17(30)19(20,21)22/h8H,2-7,9-10H2,1H3,(H,23,31)
InChIKeyREQDGJGOIQLTQP-UHFFFAOYSA-N
MW466.49 g/mol
LogP2.21
Rot. Bonds4

About 4-[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]piperazin-2-one

4-[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]piperazin-2-one (PubChem CID 46175183) has the molecular formula C19H21F3N8OS and a molecular weight of 466.49 g/mol. Its IUPAC name is 4-[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]piperazin-2-one.

Molecular Properties

Compound Name4-[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]piperazin-2-one
PubChem CID46175183
Molecular FormulaC19H21F3N8OS
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name4-[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]piperazin-2-one
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1
InChIInChI=1S/C19H21F3N8OS/c1-2-3-11-8-12-15(24-18(25-16(12)32-11)29-5-4-23-14(31)10-29)28-6-7-30-13(9-28)26-27-17(30)19(20,21)22/h8H,2-7,9-10H2,1H3,(H,23,31)
InChIKeyREQDGJGOIQLTQP-UHFFFAOYSA-N
XLogP2.21
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[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]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[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]piperazin-2-one?
The IUPAC name of 4-[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]piperazin-2-one (CID 46175183) is 4-[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]piperazin-2-one.
What is the SMILES notation for 4-[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]piperazin-2-one?
The canonical SMILES for 4-[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]piperazin-2-one is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCNC(=O)C3)nc2s1.
What is the InChIKey of 4-[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]piperazin-2-one?
The InChIKey is REQDGJGOIQLTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8OS/c1-2-3-11-8-12-15(24-18(25-16(12)32-11)29-5-4-23-14(31)10-29)28-6-7-30-13(9-28)26-27-17(30)19(20,21)22/h8H,2-7,9-10H2,1H3,(H,23,31).
What are the key properties of 4-[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]piperazin-2-one?
4-[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]piperazin-2-one has a molecular weight of 466.49 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[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]piperazin-2-one is sourced from PubChem (CID 46175183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).