6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

C26H24F3N9 — CID 152614870

About 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine

6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (PubChem CID 152614870) has the molecular formula C26H24F3N9 and a molecular weight of 519.54 g/mol. Its IUPAC name is 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
• PubChem CID: 152614870
• Molecular Formula: C26H24F3N9
• Molecular Weight: 519.54 g/mol
• Exact Mass: 519.21
• IUPAC Name: 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine
• SMILES: CN(C)c1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
• InChI: InChI=1S/C26H24F3N9/c1-36(2)25-20(21(16-8-9-16)31-14-32-25)22-30-10-18-11-33-38(24(18)35-22)12-15-4-6-17(7-5-15)23-34-19(13-37(23)3)26(27,28)29/h4-7,10-11,13-14,16H,8-9,12H2,1-3H3
• InChIKey: ZAHGXUZWZXPOLW-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 90.44 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?

The IUPAC name of 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine (CID 152614870) is 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine.

What is the SMILES notation for 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?

The canonical SMILES for 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is CN(C)c1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.

What is the InChIKey of 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?

The InChIKey is ZAHGXUZWZXPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N9/c1-36(2)25-20(21(16-8-9-16)31-14-32-25)22-30-10-18-11-33-38(24(18)35-22)12-15-4-6-17(7-5-15)23-34-19(13-37(23)3)26(27,28)29/h4-7,10-11,13-14,16H,8-9,12H2,1-3H3.

What are the key properties of 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine?

6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine has a molecular weight of 519.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N,N-dimethyl-5-[1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-yl]pyrimidin-4-amine is sourced from PubChem (CID 152614870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).