3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C49H41F2N15O2 — CID 158982445

About 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 158982445) has the molecular formula C49H41F2N15O2 and a molecular weight of 909.97 g/mol. Its IUPAC name is 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

• Compound Name: 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
• PubChem CID: 158982445
• Molecular Formula: C49H41F2N15O2
• Molecular Weight: 909.97 g/mol
• Exact Mass: 909.35
• IUPAC Name: 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
• SMILES: Cc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12
• InChI: InChI=1S/C26H20FN7O.C23H21FN8O/c1-15-6-2-3-7-19(15)24-20(33-9-5-4-8-21(33)31-24)13-34-26-22(25(28)29-14-30-26)23(32-34)16-10-17(27)12-18(35)11-16;24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18/h2-12,14,35H,13H2,1H3,(H2,28,29,30);1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27)
• InChIKey: JPEDZDSSZHUWDV-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 217.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.97
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?

The IUPAC name of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 158982445) is 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

What is the SMILES notation for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?

The canonical SMILES for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Cc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(N2CCCC2)nc2ccccn12.

What is the InChIKey of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?

The InChIKey is JPEDZDSSZHUWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O.C23H21FN8O/c1-15-6-2-3-7-19(15)24-20(33-9-5-4-8-21(33)31-24)13-34-26-22(25(28)29-14-30-26)23(32-34)16-10-17(27)12-18(35)11-16;24-15-9-14(10-16(33)11-15)20-19-21(25)26-13-27-23(19)32(29-20)12-17-22(30-6-3-4-7-30)28-18-5-1-2-8-31(17)18/h2-12,14,35H,13H2,1H3,(H2,28,29,30);1-2,5,8-11,13,33H,3-4,6-7,12H2,(H2,25,26,27).

What are the key properties of 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?

3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 909.97 g/mol, XLogP of 7.81, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(2-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 158982445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).