5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19FN4O2 — CID 110118377

IUPAC5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(Cc1ccccc1F)N1CCCCC1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-18(25)23-10-4-3-7-16(23)15-12-19(26)24-17(22-15)8-9-21-24/h1-2,5-6,8-9,12,16,21H,3-4,7,10-11H2
InChIKeyKDHUPKLDWMTELJ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.46
Rot. Bonds3

About 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118377) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118377
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(Cc1ccccc1F)N1CCCCC1c1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-18(25)23-10-4-3-7-16(23)15-12-19(26)24-17(22-15)8-9-21-24/h1-2,5-6,8-9,12,16,21H,3-4,7,10-11H2
InChIKeyKDHUPKLDWMTELJ-UHFFFAOYSA-N
XLogP2.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118377) is 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(Cc1ccccc1F)N1CCCCC1c1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KDHUPKLDWMTELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-18(25)23-10-4-3-7-16(23)15-12-19(26)24-17(22-15)8-9-21-24/h1-2,5-6,8-9,12,16,21H,3-4,7,10-11H2.
What are the key properties of 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).