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

C19H19FN4O2 — CID 124947639

IUPAC5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=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/t16-/m0/s1
InChIKeyKDHUPKLDWMTELJ-INIZCTEOSA-N
MW354.38 g/mol
LogP2.46
Rot. Bonds3

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

5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 124947639) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID124947639
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=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/t16-/m0/s1
InChIKeyKDHUPKLDWMTELJ-INIZCTEOSA-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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Related Compounds

6-[(2-fluorophenyl)methyl]-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4062440
2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56597967
5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
5-Methyl-2,6-diphenyl-3-(1-piperidinyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134315422
3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 804632
6-[2-(trifluoromethyl)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 87052402
6-[(2-fluorophenyl)methyl]-5-methyl-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 9551082
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15988857
5-methyl-6-(6-oxo-1H-pyridin-3-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307754
6-cyclopentyl-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308061
5-methyl-6-(2-oxo-1H-pyridin-4-yl)-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134347315
7-[2-(trifluoromethyl)benzoyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 87052536

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 124947639) is 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KDHUPKLDWMTELJ-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2S)-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-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 124947639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).