7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C16H20N6O — CID 124956145

IUPAC7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCn1nccc1CN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C16H20N6O/c1-20-12(5-6-18-20)11-21-8-3-2-4-14(21)13-10-15(23)22-9-7-17-16(22)19-13/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyCKJVKAFFNGBRIA-AWEZNQCLSA-N
MW312.38 g/mol
LogP1.48
Rot. Bonds3

About 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 124956145) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID124956145
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCn1nccc1CN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1
InChIInChI=1S/C16H20N6O/c1-20-12(5-6-18-20)11-21-8-3-2-4-14(21)13-10-15(23)22-9-7-17-16(22)19-13/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyCKJVKAFFNGBRIA-AWEZNQCLSA-N
XLogP1.48
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304
7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118248
7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118136
5-[(2R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 125014658
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124952271
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
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-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118205
7-[(2S)-1-(1-aminocyclopentanecarbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124947088
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
7-[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976079

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 124956145) is 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is Cn1nccc1CN1CCCC[C@H]1c1cc(=O)n2ccnc2[nH]1.
What is the InChIKey of 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CKJVKAFFNGBRIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N6O/c1-20-12(5-6-18-20)11-21-8-3-2-4-14(21)13-10-15(23)22-9-7-17-16(22)19-13/h5-7,9-10,14H,2-4,8,11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 312.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 124956145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).