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

C25H18FN7O — CID 58515133

IUPAC3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C25H18FN7O/c26-17-10-16(11-18(34)12-17)23-21-24(27)28-14-29-25(21)33(31-23)13-19-22(15-6-2-1-3-7-15)30-20-8-4-5-9-32(19)20/h1-12,14,34H,13H2,(H2,27,28,29)
InChIKeyYZIVMHNXAJMZEL-UHFFFAOYSA-N
MW451.47 g/mol
LogP4.28
Rot. Bonds4

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

3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 58515133) has the molecular formula C25H18FN7O and a molecular weight of 451.47 g/mol. Its IUPAC name is 3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID58515133
Molecular FormulaC25H18FN7O
Molecular Weight451.47 g/mol
Exact Mass451.16
IUPAC Name3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESNc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C25H18FN7O/c26-17-10-16(11-18(34)12-17)23-21-24(27)28-14-29-25(21)33(31-23)13-19-22(15-6-2-1-3-7-15)30-20-8-4-5-9-32(19)20/h1-12,14,34H,13H2,(H2,27,28,29)
InChIKeyYZIVMHNXAJMZEL-UHFFFAOYSA-N
XLogP4.28
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.28
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-phenylimidazo[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-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 58515133) is 3-[4-amino-1-[(2-phenylimidazo[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-phenylimidazo[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-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is YZIVMHNXAJMZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN7O/c26-17-10-16(11-18(34)12-17)23-21-24(27)28-14-29-25(21)33(31-23)13-19-22(15-6-2-1-3-7-15)30-20-8-4-5-9-32(19)20/h1-12,14,34H,13H2,(H2,27,28,29).
What are the key properties of 3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-[4-amino-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 451.47 g/mol, XLogP of 4.28, 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-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 58515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).