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

C17H10ClFN4O2 — CID 163233807

IUPAC2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol
SMILESOc1cc(-n2ncc3nc(-c4ccc(O)c(Cl)c4)ncc32)ccc1F
InChIInChI=1S/C17H10ClFN4O2/c18-11-5-9(1-4-15(11)24)17-20-8-14-13(22-17)7-21-23(14)10-2-3-12(19)16(25)6-10/h1-8,24-25H
InChIKeyZJRMGFWNRKXENN-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.69
Rot. Bonds2

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

2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol (PubChem CID 163233807) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol
PubChem CID163233807
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol
SMILESOc1cc(-n2ncc3nc(-c4ccc(O)c(Cl)c4)ncc32)ccc1F
InChIInChI=1S/C17H10ClFN4O2/c18-11-5-9(1-4-15(11)24)17-20-8-14-13(22-17)7-21-23(14)10-2-3-12(19)16(25)6-10/h1-8,24-25H
InChIKeyZJRMGFWNRKXENN-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

Analyze 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
CID 70677255
4-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)phenol
CID 136029178
4-(8-Amino-6-phenylimidazo[1,2-a]pyrazin-5-yl)-2-chlorophenol
CID 137372581
2,6-Dichloro-4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 44309059
2,6-Dichloro-4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 44309125
4-[(2-Butylimidazo[4,5-b]pyridin-1-yl)methyl]-2,6-dichlorophenol
CID 44309126
4-[(2-Butylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dichlorophenol
CID 44309127
4-[(2-Butyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dichlorophenol
CID 44309278
2,6-Dichloro-4-[(2-propylimidazo[4,5-b]pyridin-1-yl)methyl]phenol
CID 44309141
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
6-Chloro-2-fluoro-3-(5-(4-(methylsulfonyl)piperazin-1-yl)-1H-pyrazolo[3,4-c]pyridine-1-yl)phenol
CID 163233802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol (CID 163233807) is 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol is Oc1cc(-n2ncc3nc(-c4ccc(O)c(Cl)c4)ncc32)ccc1F.
What is the InChIKey of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol?
The InChIKey is ZJRMGFWNRKXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c18-11-5-9(1-4-15(11)24)17-20-8-14-13(22-17)7-21-23(14)10-2-3-12(19)16(25)6-10/h1-8,24-25H.
What are the key properties of 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol?
2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol 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 2-chloro-4-[1-(4-fluoro-3-hydroxyphenyl)pyrazolo[4,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 163233807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).