5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

C24H14BrF3N4O — CID 11562543

IUPAC5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H14BrF3N4O/c25-17-10-12-18(13-11-17)31-21(15-6-8-16(9-7-15)24(26,27)28)30-22-20(23(31)33)14-29-32(22)19-4-2-1-3-5-19/h1-14H
InChIKeyRJSHELDJUSGJSA-UHFFFAOYSA-N
MW511.30 g/mol
LogP6.02
Rot. Bonds3

About 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one

5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 11562543) has the molecular formula C24H14BrF3N4O and a molecular weight of 511.30 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID11562543
Molecular FormulaC24H14BrF3N4O
Molecular Weight511.30 g/mol
Exact Mass510.03
IUPAC Name5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(Br)cc1
InChIInChI=1S/C24H14BrF3N4O/c25-17-10-12-18(13-11-17)31-21(15-6-8-16(9-7-15)24(26,27)28)30-22-20(23(31)33)14-29-32(22)19-4-2-1-3-5-19/h1-14H
InChIKeyRJSHELDJUSGJSA-UHFFFAOYSA-N
XLogP6.02
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.30
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 11562543) is 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RJSHELDJUSGJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrF3N4O/c25-17-10-12-18(13-11-17)31-21(15-6-8-16(9-7-15)24(26,27)28)30-22-20(23(31)33)14-29-32(22)19-4-2-1-3-5-19/h1-14H.
What are the key properties of 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one?
5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 511.30 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-phenyl-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 11562543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).