5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol

C17H10ClFN4O2 — CID 163233896

IUPAC5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol
SMILESOc1ccc(-c2ncc3c(cnn3-c3ccc(F)c(O)c3)n2)c(Cl)c1
InChIInChI=1S/C17H10ClFN4O2/c18-12-6-10(24)2-3-11(12)17-20-8-15-14(22-17)7-21-23(15)9-1-4-13(19)16(25)5-9/h1-8,24-25H
InChIKeyFYOQJNBDCFRBQS-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.69
Rot. Bonds2

About 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol

5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol (PubChem CID 163233896) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol
PubChem CID163233896
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol
SMILESOc1ccc(-c2ncc3c(cnn3-c3ccc(F)c(O)c3)n2)c(Cl)c1
InChIInChI=1S/C17H10ClFN4O2/c18-12-6-10(24)2-3-11(12)17-20-8-15-14(22-17)7-21-23(15)9-1-4-13(19)16(25)5-9/h1-8,24-25H
InChIKeyFYOQJNBDCFRBQS-UHFFFAOYSA-N
XLogP3.69
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]phenol
CID 135156237
2-Chloro-4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
CID 70677255
4-[2-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)ethyl]phenol
CID 118708233
4-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708240
4-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)phenol
CID 136029178
3-[[6-(4-Fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]amino]phenol
CID 134809360
4-[6-(2-Chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]phenol
CID 155563928
3-Chloro-4-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 162659307
4-[(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenol
CID 118708229
2-[2-(4-Chlorophenyl)pyrazolo[1,5-A]pyrimidin-7-YL]-4-fluorophenol
CID 135939571
2-Chloro-4-(1-(4-fluoro-3-hydroxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenol
CID 163233807
3-Chloro-2-fluoro-5-(5-(4-(methylsulfonyl)piperazin-1-yl)-2H-pyrazolo[3,4-c]pyridine-2-yl)phenol
CID 163234060

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol?
The IUPAC name of 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol (CID 163233896) is 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol.
What is the SMILES notation for 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol?
The canonical SMILES for 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol is Oc1ccc(-c2ncc3c(cnn3-c3ccc(F)c(O)c3)n2)c(Cl)c1.
What is the InChIKey of 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol?
The InChIKey is FYOQJNBDCFRBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c18-12-6-10(24)2-3-11(12)17-20-8-15-14(22-17)7-21-23(15)9-1-4-13(19)16(25)5-9/h1-8,24-25H.
What are the key properties of 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol?
5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol has a molecular weight of 356.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chloro-4-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-1-yl]-2-fluorophenol is sourced from PubChem (CID 163233896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).