1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C18H11BrF2N4O — CID 53331496

IUPAC1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(F)cc1F
InChIInChI=1S/C18H11BrF2N4O/c19-12-2-5-14(6-3-12)25-17-15(8-23-25)18(26)24(10-22-17)9-11-1-4-13(20)7-16(11)21/h1-8,10H,9H2
InChIKeyDMVVUDMRZZUASZ-UHFFFAOYSA-N
MW417.21 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 53331496) has the molecular formula C18H11BrF2N4O and a molecular weight of 417.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID53331496
Molecular FormulaC18H11BrF2N4O
Molecular Weight417.21 g/mol
Exact Mass416.01
IUPAC Name1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(F)cc1F
InChIInChI=1S/C18H11BrF2N4O/c19-12-2-5-14(6-3-12)25-17-15(8-23-25)18(26)24(10-22-17)9-11-1-4-13(20)7-16(11)21/h1-8,10H,9H2
InChIKeyDMVVUDMRZZUASZ-UHFFFAOYSA-N
XLogP3.67
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 53331496) is 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(Br)cc3)c2ncn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DMVVUDMRZZUASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF2N4O/c19-12-2-5-14(6-3-12)25-17-15(8-23-25)18(26)24(10-22-17)9-11-1-4-13(20)7-16(11)21/h1-8,10H,9H2.
What are the key properties of 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 417.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 53331496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).