1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine

C25H22F3N7 — CID 151560923

About 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine

1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 151560923) has the molecular formula C25H22F3N7 and a molecular weight of 477.49 g/mol. Its IUPAC name is 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine
• PubChem CID: 151560923
• Molecular Formula: C25H22F3N7
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.19
• IUPAC Name: 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine
• SMILES: CC(C)c1ncccc1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
• InChI: InChI=1S/C25H22F3N7/c1-15(2)21-19(5-4-10-29-21)22-30-11-18-12-31-35(24(18)33-22)13-16-6-8-17(9-7-16)23-32-20(14-34(23)3)25(26,27)28/h4-12,14-15H,13H2,1-3H3
• InChIKey: QCLBBCRNZYNOCQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine (CID 151560923) is 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine.

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

The canonical SMILES for 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine is CC(C)c1ncccc1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.

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

The InChIKey is QCLBBCRNZYNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7/c1-15(2)21-19(5-4-10-29-21)22-30-11-18-12-31-35(24(18)33-22)13-16-6-8-17(9-7-16)23-32-20(14-34(23)3)25(26,27)28/h4-12,14-15H,13H2,1-3H3.

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

1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 477.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-(2-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 151560923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).