4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol

C28H25FN6O2 — CID 150615299

IUPAC4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol
SMILESCC1(C)COc2nc3c(NCCc4ccc(O)c(-c5ccccc5)c4)nc(-c4cncc(F)c4)nc3n21
InChIInChI=1S/C28H25FN6O2/c1-28(2)16-37-27-32-23-25(33-24(34-26(23)35(27)28)19-13-20(29)15-30-14-19)31-11-10-17-8-9-22(36)21(12-17)18-6-4-3-5-7-18/h3-9,12-15,36H,10-11,16H2,1-2H3,(H,31,33,34)
InChIKeyIUTIPSZFLJDIHQ-UHFFFAOYSA-N
MW496.55 g/mol
LogP5.18
Rot. Bonds6

About 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol

4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol (PubChem CID 150615299) has the molecular formula C28H25FN6O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol.

Molecular Properties

Compound Name4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol
PubChem CID150615299
Molecular FormulaC28H25FN6O2
Molecular Weight496.55 g/mol
Exact Mass496.20
IUPAC Name4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol
SMILESCC1(C)COc2nc3c(NCCc4ccc(O)c(-c5ccccc5)c4)nc(-c4cncc(F)c4)nc3n21
InChIInChI=1S/C28H25FN6O2/c1-28(2)16-37-27-32-23-25(33-24(34-26(23)35(27)28)19-13-20(29)15-30-14-19)31-11-10-17-8-9-22(36)21(12-17)18-6-4-3-5-7-18/h3-9,12-15,36H,10-11,16H2,1-2H3,(H,31,33,34)
InChIKeyIUTIPSZFLJDIHQ-UHFFFAOYSA-N
XLogP5.18
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.55
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol with MolForge

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Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]phenol
CID 162474531
N-[2-(4-fluorophenyl)ethyl]-2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-amine
CID 162474670
3-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]phenol
CID 162474608
3-[5-[2-[[8,8-dimethyl-2-(5-methyl-3-pyridinyl)-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-hydroxyphenyl]-4-fluorobenzonitrile
CID 162474606
4-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]-2-pyridin-3-ylphenol
CID 150914371
2-(3-ethylphenyl)-4-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 162474533
4-[2-hydroxy-5-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]benzonitrile
CID 166825786
2-(2,3-difluorophenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 166825780
2-(3-methylsulfonylphenyl)-4-[2-[(2,8,8-trimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenol
CID 166825676
5-[5-[2-[[(8R)-2-(5-fluoro-3-pyridinyl)-8-methyl-7,8-dihydropurino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-hydroxyphenyl]pyridine-3-carbonitrile
CID 162474582
4-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]-2-(4-isocyanophenyl)phenol
CID 162474487
2-[3-[2-hydroxy-5-[2-[(2-iodo-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl)amino]ethyl]phenyl]phenyl]-N,N-dimethylacetamide
CID 162474559

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol?
The IUPAC name of 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol (CID 150615299) is 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol.
What is the SMILES notation for 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol?
The canonical SMILES for 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol is CC1(C)COc2nc3c(NCCc4ccc(O)c(-c5ccccc5)c4)nc(-c4cncc(F)c4)nc3n21.
What is the InChIKey of 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol?
The InChIKey is IUTIPSZFLJDIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2/c1-28(2)16-37-27-32-23-25(33-24(34-26(23)35(27)28)19-13-20(29)15-30-14-19)31-11-10-17-8-9-22(36)21(12-17)18-6-4-3-5-7-18/h3-9,12-15,36H,10-11,16H2,1-2H3,(H,31,33,34).
What are the key properties of 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol?
4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol has a molecular weight of 496.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(5-fluoro-3-pyridinyl)-8,8-dimethyl-7H-purino[8,9-b][1,3]oxazol-4-yl]amino]ethyl]-2-phenylphenol is sourced from PubChem (CID 150615299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).