(1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide

C24H24F6N6O2 — CID 141473204

About (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide

(1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 141473204) has the molecular formula C24H24F6N6O2 and a molecular weight of 542.48 g/mol. Its IUPAC name is (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide
• PubChem CID: 141473204
• Molecular Formula: C24H24F6N6O2
• Molecular Weight: 542.48 g/mol
• Exact Mass: 542.19
• IUPAC Name: (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide
• SMILES: NC(=O)[C@@]1(CN[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)Cc2cc(F)c(F)cc2F)C=CC=CC1
• InChI: InChI=1S/C24H24F6N6O2/c25-16-11-18(27)17(26)9-14(16)8-15(32-13-23(21(31)38)4-2-1-3-5-23)10-20(37)35-6-7-36-19(12-35)33-34-22(36)24(28,29)30/h1-4,9,11,15,32H,5-8,10,12-13H2,(H2,31,38)/t15-,23+/m1/s1
• InChIKey: OTWLJOJQTFUXQF-CMJOXMDJSA-N
• XLogP: 2.64
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.48
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide?

The IUPAC name of (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide (CID 141473204) is (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide.

What is the SMILES notation for (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide?

The canonical SMILES for (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide is NC(=O)[C@@]1(CN[C@@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)Cc2cc(F)c(F)cc2F)C=CC=CC1.

What is the InChIKey of (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide?

The InChIKey is OTWLJOJQTFUXQF-CMJOXMDJSA-N. The full InChI is InChI=1S/C24H24F6N6O2/c25-16-11-18(27)17(26)9-14(16)8-15(32-13-23(21(31)38)4-2-1-3-5-23)10-20(37)35-6-7-36-19(12-35)33-34-22(36)24(28,29)30/h1-4,9,11,15,32H,5-8,10,12-13H2,(H2,31,38)/t15-,23+/m1/s1.

What are the key properties of (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide?

(1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 542.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]methyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 141473204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).