7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

C19H26N6O — CID 110118248

IUPAC7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCn1nc(C)c(CN2CCCCC2c2cc(=O)n3ccnc3[nH]2)c1C
InChIInChI=1S/C19H26N6O/c1-4-25-14(3)15(13(2)22-25)12-23-9-6-5-7-17(23)16-11-18(26)24-10-8-20-19(24)21-16/h8,10-11,17H,4-7,9,12H2,1-3H3,(H,20,21)
InChIKeyWTEUXMNZJFPXQW-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.58
Rot. Bonds4

About 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one

7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 110118248) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID110118248
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCn1nc(C)c(CN2CCCCC2c2cc(=O)n3ccnc3[nH]2)c1C
InChIInChI=1S/C19H26N6O/c1-4-25-14(3)15(13(2)22-25)12-23-9-6-5-7-17(23)16-11-18(26)24-10-8-20-19(24)21-16/h8,10-11,17H,4-7,9,12H2,1-3H3,(H,20,21)
InChIKeyWTEUXMNZJFPXQW-UHFFFAOYSA-N
XLogP2.58
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2S)-1-(2-ethoxyethyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 125017304
7-[(2S)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124956145
7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
2-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95708113
7-(1-methylsulfonylpiperidin-2-yl)-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118136
7-[1-(1-ethyl-3-methylpyrazole-4-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118175
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
6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 124989910
7-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 110118084
7-[(2R)-1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124967459
7-[(2S)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124952271

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one (CID 110118248) is 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is CCn1nc(C)c(CN2CCCCC2c2cc(=O)n3ccnc3[nH]2)c1C.
What is the InChIKey of 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is WTEUXMNZJFPXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-4-25-14(3)15(13(2)22-25)12-23-9-6-5-7-17(23)16-11-18(26)24-10-8-20-19(24)21-16/h8,10-11,17H,4-7,9,12H2,1-3H3,(H,20,21).
What are the key properties of 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one?
7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 354.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 110118248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).