[2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol

C26H26N8O2 — CID 147222784

About [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol

[2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol (PubChem CID 147222784) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol.

Molecular Properties

• Compound Name: [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol
• PubChem CID: 147222784
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol
• SMILES: CCn1cc(CO)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC)ncnc4C4CC4)nc32)cc1
• InChI: InChI=1S/C26H26N8O2/c1-3-33-13-20(14-35)31-24(33)18-6-4-16(5-7-18)12-34-25-19(11-30-34)10-27-23(32-25)21-22(17-8-9-17)28-15-29-26(21)36-2/h4-7,10-11,13,15,17,35H,3,8-9,12,14H2,1-2H3
• InChIKey: CHKFLPMUUMOERD-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 116.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol?

The IUPAC name of [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol (CID 147222784) is [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol.

What is the SMILES notation for [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol?

The canonical SMILES for [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol is CCn1cc(CO)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC)ncnc4C4CC4)nc32)cc1.

What is the InChIKey of [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol?

The InChIKey is CHKFLPMUUMOERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-3-33-13-20(14-35)31-24(33)18-6-4-16(5-7-18)12-34-25-19(11-30-34)10-27-23(32-25)21-22(17-8-9-17)28-15-29-26(21)36-2/h4-7,10-11,13,15,17,35H,3,8-9,12,14H2,1-2H3.

What are the key properties of [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol?

[2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol has a molecular weight of 482.55 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[[6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]-1-ethylimidazol-4-yl]methanol is sourced from PubChem (CID 147222784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).