2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

C23H20F3N5O — CID 91957092

IUPAC2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1c1ccccc1
InChIInChI=1S/C23H20F3N5O/c1-15-13-17-9-5-6-10-18(17)31(15)14-19(32)29-11-12-30-21(27-28-22(30)23(24,25)26)20(29)16-7-3-2-4-8-16/h2-10,13,20H,11-12,14H2,1H3
InChIKeyPVKIYHNRHCYOJR-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone

2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (PubChem CID 91957092) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
PubChem CID91957092
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
SMILESCc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1c1ccccc1
InChIInChI=1S/C23H20F3N5O/c1-15-13-17-9-5-6-10-18(17)31(15)14-19(32)29-11-12-30-21(27-28-22(30)23(24,25)26)20(29)16-7-3-2-4-8-16/h2-10,13,20H,11-12,14H2,1H3
InChIKeyPVKIYHNRHCYOJR-UHFFFAOYSA-N
XLogP4.19
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone (CID 91957092) is 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is Cc1cc2ccccc2n1CC(=O)N1CCn2c(nnc2C(F)(F)F)C1c1ccccc1.
What is the InChIKey of 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
The InChIKey is PVKIYHNRHCYOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-15-13-17-9-5-6-10-18(17)31(15)14-19(32)29-11-12-30-21(27-28-22(30)23(24,25)26)20(29)16-7-3-2-4-8-16/h2-10,13,20H,11-12,14H2,1H3.
What are the key properties of 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone?
2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone has a molecular weight of 439.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-1-[8-phenyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 91957092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).