imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C17H20N6O — CID 95603261

IUPACimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t14-/m0/s1
InChIKeyOVCFOVXOZOLRHH-AWEZNQCLSA-N
MW324.39 g/mol
LogP1.93
Rot. Bonds3

About imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 95603261) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID95603261
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Nameimidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2cn3cccnc3n2)c1
InChIInChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t14-/m0/s1
InChIKeyOVCFOVXOZOLRHH-AWEZNQCLSA-N
XLogP1.93
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95602985
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
2-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603187
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95319035
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 95603261) is imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cn3cccnc3n2)c1.
What is the InChIKey of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is OVCFOVXOZOLRHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-9-19-22(10-13)11-14-5-2-3-8-23(14)16(24)15-12-21-7-4-6-18-17(21)20-15/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t14-/m0/s1.
What are the key properties of imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95603261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).