1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine

C25H21F3N8O — CID 164881102

About 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine

1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine (PubChem CID 164881102) has the molecular formula C25H21F3N8O and a molecular weight of 509.51 g/mol. Its IUPAC name is 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine
• PubChem CID: 164881102
• Molecular Formula: C25H21F3N8O
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.20
• IUPAC Name: 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine
• SMILES: [2H]C([2H])([2H])n1cc(C(F)(F)F)nc1-c1ccc(Cc2nn(-c3c(OC)ncnc3C3CC3)c3cncnc23)cc1
• InChI: InChI=1S/C25H21F3N8O/c1-35-11-19(25(26,27)28)33-23(35)16-5-3-14(4-6-16)9-17-21-18(10-29-12-30-21)36(34-17)22-20(15-7-8-15)31-13-32-24(22)37-2/h3-6,10-13,15H,7-9H2,1-2H3/i1D3
• InChIKey: QFFMUZPBSOTTDJ-FIBGUPNXSA-N
• XLogP: 4.50
• TPSA: 96.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine?

The IUPAC name of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine (CID 164881102) is 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine.

What is the SMILES notation for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine?

The canonical SMILES for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine is [2H]C([2H])([2H])n1cc(C(F)(F)F)nc1-c1ccc(Cc2nn(-c3c(OC)ncnc3C3CC3)c3cncnc23)cc1.

What is the InChIKey of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine?

The InChIKey is QFFMUZPBSOTTDJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H21F3N8O/c1-35-11-19(25(26,27)28)33-23(35)16-5-3-14(4-6-16)9-17-21-18(10-29-12-30-21)36(34-17)22-20(15-7-8-15)31-13-32-24(22)37-2/h3-6,10-13,15H,7-9H2,1-2H3/i1D3.

What are the key properties of 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine?

1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine has a molecular weight of 509.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 164881102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).