(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

C24H24F5N5O — CID 71253038

IUPAC(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESC[C@@H](N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C24H24F5N5O/c1-15(16-5-3-2-4-6-16)30-19(12-17-11-18(25)7-8-20(17)26)13-22(35)33-9-10-34-21(14-33)31-32-23(34)24(27,28)29/h2-8,11,15,19,30H,9-10,12-14H2,1H3/t15-,19-/m1/s1
InChIKeyGMGXKOUGEFLXQI-DNVCBOLYSA-N
MW493.48 g/mol
LogP4.27
Rot. Bonds7

About (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (PubChem CID 71253038) has the molecular formula C24H24F5N5O and a molecular weight of 493.48 g/mol. Its IUPAC name is (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
PubChem CID71253038
Molecular FormulaC24H24F5N5O
Molecular Weight493.48 g/mol
Exact Mass493.19
IUPAC Name(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESC[C@@H](N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C24H24F5N5O/c1-15(16-5-3-2-4-6-16)30-19(12-17-11-18(25)7-8-20(17)26)13-22(35)33-9-10-34-21(14-33)31-32-23(34)24(27,28)29/h2-8,11,15,19,30H,9-10,12-14H2,1H3/t15-,19-/m1/s1
InChIKeyGMGXKOUGEFLXQI-DNVCBOLYSA-N
XLogP4.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one 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 (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (CID 71253038) is (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is C[C@@H](N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The InChIKey is GMGXKOUGEFLXQI-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H24F5N5O/c1-15(16-5-3-2-4-6-16)30-19(12-17-11-18(25)7-8-20(17)26)13-22(35)33-9-10-34-21(14-33)31-32-23(34)24(27,28)29/h2-8,11,15,19,30H,9-10,12-14H2,1H3/t15-,19-/m1/s1.
What are the key properties of (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
(3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one has a molecular weight of 493.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,5-difluorophenyl)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 71253038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).