6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H10BrClN4O2 — CID 137258082

IUPAC6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2cc(Br)ccc2Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10BrClN4O2/c18-10-6-7-13(19)14(8-10)25-17-21-15-12(16(24)22-17)9-20-23(15)11-4-2-1-3-5-11/h1-9H,(H,21,22,24)
InChIKeyIGILKIMVEXEIKR-UHFFFAOYSA-N
MW417.65 g/mol
LogP4.32
Rot. Bonds3

About 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137258082) has the molecular formula C17H10BrClN4O2 and a molecular weight of 417.65 g/mol. Its IUPAC name is 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137258082
Molecular FormulaC17H10BrClN4O2
Molecular Weight417.65 g/mol
Exact Mass415.97
IUPAC Name6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2cc(Br)ccc2Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10BrClN4O2/c18-10-6-7-13(19)14(8-10)25-17-21-15-12(16(24)22-17)9-20-23(15)11-4-2-1-3-5-11/h1-9H,(H,21,22,24)
InChIKeyIGILKIMVEXEIKR-UHFFFAOYSA-N
XLogP4.32
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.65
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248379
5-bromo-2-chloro-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136603913
6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 137272683
N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
CID 137258332
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzoate
CID 137258314
6-[(5-bromo-1,3-benzoxazol-2-yl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 146636557
3-bromo-N-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methyl]benzamide
CID 135654101
6-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135883521
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135759789
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135498660

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137258082) is 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2cc(Br)ccc2Cl)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IGILKIMVEXEIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN4O2/c18-10-6-7-13(19)14(8-10)25-17-21-15-12(16(24)22-17)9-20-23(15)11-4-2-1-3-5-11/h1-9H,(H,21,22,24).
What are the key properties of 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 417.65 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137258082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).