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

C23H20F3N7S — CID 58334008

IUPAC2-indol-1-yl-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(-n3ccc4ccccc43)nc2s1
InChIInChI=1S/C23H20F3N7S/c1-2-5-15-12-16-19(31-10-11-33-18(13-31)29-30-21(33)23(24,25)26)27-22(28-20(16)34-15)32-9-8-14-6-3-4-7-17(14)32/h3-4,6-9,12H,2,5,10-11,13H2,1H3
InChIKeyCXEURNUASLAITG-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.22
Rot. Bonds4

About 2-indol-1-yl-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-indol-1-yl-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 58334008) has the molecular formula C23H20F3N7S and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-indol-1-yl-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-indol-1-yl-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 CID58334008
Molecular FormulaC23H20F3N7S
Molecular Weight483.52 g/mol
Exact Mass483.15
IUPAC Name2-indol-1-yl-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(-n3ccc4ccccc43)nc2s1
InChIInChI=1S/C23H20F3N7S/c1-2-5-15-12-16-19(31-10-11-33-18(13-31)29-30-21(33)23(24,25)26)27-22(28-20(16)34-15)32-9-8-14-6-3-4-7-17(14)32/h3-4,6-9,12H,2,5,10-11,13H2,1H3
InChIKeyCXEURNUASLAITG-UHFFFAOYSA-N
XLogP5.22
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-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-indol-1-yl-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 58334008) is 2-indol-1-yl-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-indol-1-yl-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-indol-1-yl-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(-n3ccc4ccccc43)nc2s1.
What is the InChIKey of 2-indol-1-yl-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 CXEURNUASLAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7S/c1-2-5-15-12-16-19(31-10-11-33-18(13-31)29-30-21(33)23(24,25)26)27-22(28-20(16)34-15)32-9-8-14-6-3-4-7-17(14)32/h3-4,6-9,12H,2,5,10-11,13H2,1H3.
What are the key properties of 2-indol-1-yl-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-indol-1-yl-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 483.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-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 58334008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).