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

C26H20FN7O — CID 58514993

IUPAC3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H20FN7O/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/h2-12,14,35H,13H2,1H3,(H2,28,29,30)
InChIKeyBUDBAKBUKYUFFB-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.59
Rot. Bonds4

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-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 58514993) has the molecular formula C26H20FN7O and a molecular weight of 465.49 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.

Molecular Properties

Compound Name3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID58514993
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name3-[4-amino-1-[[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
InChIInChI=1S/C26H20FN7O/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/h2-12,14,35H,13H2,1H3,(H2,28,29,30)
InChIKeyBUDBAKBUKYUFFB-UHFFFAOYSA-N
XLogP4.59
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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?
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 (CID 58514993) 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.
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?
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 is Cc1ccccc1-c1nc2ccccn2c1Cn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21.
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?
The InChIKey is BUDBAKBUKYUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/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/h2-12,14,35H,13H2,1H3,(H2,28,29,30).
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-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 465.49 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 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 is sourced from PubChem (CID 58514993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).