7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C19H19FN4O2 — CID 124952271

IUPAC7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-17(25)23-9-4-3-7-16(23)15-12-18(26)24-10-8-21-19(24)22-15/h1-2,5-6,8,10,12,16H,3-4,7,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyWRFXZUJRTOPEBW-INIZCTEOSA-N
MW354.38 g/mol
LogP2.46
Rot. Bonds3

About 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124952271) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124952271
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-17(25)23-9-4-3-7-16(23)15-12-18(26)24-10-8-21-19(24)22-15/h1-2,5-6,8,10,12,16H,3-4,7,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyWRFXZUJRTOPEBW-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

7-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
7-[(2R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125026892
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214771
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124952271) is 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is O=C(Cc1ccccc1F)N1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WRFXZUJRTOPEBW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-6-2-1-5-13(14)11-17(25)23-9-4-3-7-16(23)15-12-18(26)24-10-8-21-19(24)22-15/h1-2,5-6,8,10,12,16H,3-4,7,9,11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-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 7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124952271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).