2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C26H24F4N8O2 — CID 168841742

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 168841742) has the molecular formula C26H24F4N8O2 and a molecular weight of 556.52 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 168841742
• Molecular Formula: C26H24F4N8O2
• Molecular Weight: 556.52 g/mol
• Exact Mass: 556.20
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• SMILES: COc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2[C@H](C)c1ccc(-n2nc(C(F)(F)F)cc2C)c(F)c1
• InChI: InChI=1S/C26H24F4N8O2/c1-13-10-19(26(28,29)30)34-38(13)18-7-6-16(11-17(18)27)14(2)37-20(39)8-9-36-25(37)33-23(35-36)21-22(15-4-5-15)31-12-32-24(21)40-3/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3/t14-/m1/s1
• InChIKey: MPGCYXLISYJAID-CQSZACIVSA-N
• XLogP: 4.77
• TPSA: 103.85 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.52
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 168841742) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is COc1ncnc(C2CC2)c1-c1nc2n(n1)CCC(=O)N2[C@H](C)c1ccc(-n2nc(C(F)(F)F)cc2C)c(F)c1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

The InChIKey is MPGCYXLISYJAID-CQSZACIVSA-N. The full InChI is InChI=1S/C26H24F4N8O2/c1-13-10-19(26(28,29)30)34-38(13)18-7-6-16(11-17(18)27)14(2)37-20(39)8-9-36-25(37)33-23(35-36)21-22(15-4-5-15)31-12-32-24(21)40-3/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3/t14-/m1/s1.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 556.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[(1R)-1-[3-fluoro-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 168841742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).