2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide

C87H106F20N24O8 — CID 158488425

About 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide

2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide (PubChem CID 158488425) has the molecular formula C87H106F20N24O8 and a molecular weight of 1995.92 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide.

Molecular Properties

• Compound Name: 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide
• PubChem CID: 158488425
• Molecular Formula: C87H106F20N24O8
• Molecular Weight: 1995.92 g/mol
• Exact Mass: 1994.83
• IUPAC Name: 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide
• SMILES: CC(C)C(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(C)CC(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(F)(F)c1nnc2n1CCN(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)CN)C2.CCC(C)C(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/2C23H29F5N6O2.C22H27F5N6O2.C19H21F5N6O2/c1-12(2)6-18(29)21(36)30-14(7-13-8-16(25)17(26)10-15(13)24)9-20(35)33-4-5-34-19(11-33)31-32-22(34)23(3,27)28;1-4-12(2)20(29)21(36)30-14(7-13-8-16(25)17(26)10-15(13)24)9-19(35)33-5-6-34-18(11-33)31-32-22(34)23(3,27)28;1-11(2)19(28)20(35)29-13(6-12-7-15(24)16(25)9-14(12)23)8-18(34)32-4-5-33-17(10-32)30-31-21(33)22(3,26)27;1-19(23,24)18-28-27-15-9-29(2-3-30(15)18)17(32)6-11(26-16(31)8-25)4-10-5-13(21)14(22)7-12(10)20/h8,10,12,14,18H,4-7,9,11,29H2,1-3H3,(H,30,36);8,10,12,14,20H,4-7,9,11,29H2,1-3H3,(H,30,36);7,9,11,13,19H,4-6,8,10,28H2,1-3H3,(H,29,35);5,7,11H,2-4,6,8-9,25H2,1H3,(H,26,31)
• InChIKey: HIJVLQQKZORPBO-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 424.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.92
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide?

The IUPAC name of 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide (CID 158488425) is 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide.

What is the SMILES notation for 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide?

The canonical SMILES for 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide is CC(C)C(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(C)CC(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F.CC(F)(F)c1nnc2n1CCN(C(=O)CC(Cc1cc(F)c(F)cc1F)NC(=O)CN)C2.CCC(C)C(N)C(=O)NC(CC(=O)N1CCn2c(nnc2C(C)(F)F)C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide?

The InChIKey is HIJVLQQKZORPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29F5N6O2.C22H27F5N6O2.C19H21F5N6O2/c1-12(2)6-18(29)21(36)30-14(7-13-8-16(25)17(26)10-15(13)24)9-20(35)33-4-5-34-19(11-33)31-32-22(34)23(3,27)28;1-4-12(2)20(29)21(36)30-14(7-13-8-16(25)17(26)10-15(13)24)9-19(35)33-5-6-34-18(11-33)31-32-22(34)23(3,27)28;1-11(2)19(28)20(35)29-13(6-12-7-15(24)16(25)9-14(12)23)8-18(34)32-4-5-33-17(10-32)30-31-21(33)22(3,26)27;1-19(23,24)18-28-27-15-9-29(2-3-30(15)18)17(32)6-11(26-16(31)8-25)4-10-5-13(21)14(22)7-12(10)20/h8,10,12,14,18H,4-7,9,11,29H2,1-3H3,(H,30,36);8,10,12,14,20H,4-7,9,11,29H2,1-3H3,(H,30,36);7,9,11,13,19H,4-6,8,10,28H2,1-3H3,(H,29,35);5,7,11H,2-4,6,8-9,25H2,1H3,(H,26,31).

What are the key properties of 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide?

2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide has a molecular weight of 1995.92 g/mol, XLogP of 8.76, 33 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylbutanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-methylpentanamide;2-amino-N-[4-[3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 158488425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).