2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide

C22H18FN5O2 — CID 25281449

IUPAC2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1F
InChIInChI=1S/C22H18FN5O2/c23-17-8-4-5-9-18(17)25-19(29)13-27-20(14-10-11-14)26-21-16(22(27)30)12-24-28(21)15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,25,29)
InChIKeyBWFFYYAXSGXXES-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.24
Rot. Bonds5

About 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide

2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 25281449) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide
PubChem CID25281449
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1F
InChIInChI=1S/C22H18FN5O2/c23-17-8-4-5-9-18(17)25-19(29)13-27-20(14-10-11-14)26-21-16(22(27)30)12-24-28(21)15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,25,29)
InChIKeyBWFFYYAXSGXXES-UHFFFAOYSA-N
XLogP3.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide (CID 25281449) is 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide is O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1F.
What is the InChIKey of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is BWFFYYAXSGXXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-17-8-4-5-9-18(17)25-19(29)13-27-20(14-10-11-14)26-21-16(22(27)30)12-24-28(21)15-6-2-1-3-7-15/h1-9,12,14H,10-11,13H2,(H,25,29).
What are the key properties of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide?
2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 403.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 25281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).