5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H13FN4O — CID 5310171

IUPAC5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1F
InChIInChI=1S/C18H13FN4O/c19-16-9-5-4-6-13(16)11-22-12-20-17-15(18(22)24)10-21-23(17)14-7-2-1-3-8-14/h1-10,12H,11H2
InChIKeyHNKYNSCEBSAEHX-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.77
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 5310171) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID5310171
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1F
InChIInChI=1S/C18H13FN4O/c19-16-9-5-4-6-13(16)11-22-12-20-17-15(18(22)24)10-21-23(17)14-7-2-1-3-8-14/h1-10,12H,11H2
InChIKeyHNKYNSCEBSAEHX-UHFFFAOYSA-N
XLogP2.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 5310171) is 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HNKYNSCEBSAEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-16-9-5-4-6-13(16)11-22-12-20-17-15(18(22)24)10-21-23(17)14-7-2-1-3-8-14/h1-10,12H,11H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 320.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 5310171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).