2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H13FN6O3 — CID 7118605

IUPAC2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)no1
InChIInChI=1S/C17H13FN6O3/c1-10-6-14(22-27-10)21-15(25)8-23-9-19-16-13(17(23)26)7-20-24(16)12-4-2-11(18)3-5-12/h2-7,9H,8H2,1H3,(H,21,22,25)
InChIKeyRZPZYZCVOBASJW-UHFFFAOYSA-N
MW368.33 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7118605) has the molecular formula C17H13FN6O3 and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7118605
Molecular FormulaC17H13FN6O3
Molecular Weight368.33 g/mol
Exact Mass368.10
IUPAC Name2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)no1
InChIInChI=1S/C17H13FN6O3/c1-10-6-14(22-27-10)21-15(25)8-23-9-19-16-13(17(23)26)7-20-24(16)12-4-2-11(18)3-5-12/h2-7,9H,8H2,1H3,(H,21,22,25)
InChIKeyRZPZYZCVOBASJW-UHFFFAOYSA-N
XLogP1.66
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7118605) is 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)no1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RZPZYZCVOBASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O3/c1-10-6-14(22-27-10)21-15(25)8-23-9-19-16-13(17(23)26)7-20-24(16)12-4-2-11(18)3-5-12/h2-7,9H,8H2,1H3,(H,21,22,25).
What are the key properties of 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 368.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7118605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).