7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C25H25F3N8O2 — CID 122620793

About 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 122620793) has the molecular formula C25H25F3N8O2 and a molecular weight of 526.52 g/mol. Its IUPAC name is 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

• Compound Name: 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
• PubChem CID: 122620793
• Molecular Formula: C25H25F3N8O2
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.21
• IUPAC Name: 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
• SMILES: Cn1cc(Cn2c3cc(-c4cnc(N5CCN6C(=O)NCC6C5)nc4)ccc3c(=O)n2C)c(C(F)(F)F)c1
• InChI: InChI=1S/C25H25F3N8O2/c1-32-11-17(20(14-32)25(26,27)28)12-36-21-7-15(3-4-19(21)22(37)33(36)2)16-8-29-23(30-9-16)34-5-6-35-18(13-34)10-31-24(35)38/h3-4,7-9,11,14,18H,5-6,10,12-13H2,1-2H3,(H,31,38)
• InChIKey: LPXMWWSBFQFIQM-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 93.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The IUPAC name of 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 122620793) is 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

What is the SMILES notation for 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The canonical SMILES for 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cn1cc(Cn2c3cc(-c4cnc(N5CCN6C(=O)NCC6C5)nc4)ccc3c(=O)n2C)c(C(F)(F)F)c1.

What is the InChIKey of 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

The InChIKey is LPXMWWSBFQFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O2/c1-32-11-17(20(14-32)25(26,27)28)12-36-21-7-15(3-4-19(21)22(37)33(36)2)16-8-29-23(30-9-16)34-5-6-35-18(13-34)10-31-24(35)38/h3-4,7-9,11,14,18H,5-6,10,12-13H2,1-2H3,(H,31,38).

What are the key properties of 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?

7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 526.52 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 122620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).