[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C18H22N6O — CID 95602985

IUPAC[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cn3cccnc3n2)n1
InChIInChI=1S/C18H22N6O/c1-13-10-14(2)24(21-13)11-15-6-3-4-9-23(15)17(25)16-12-22-8-5-7-19-18(22)20-16/h5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3/t15-/m1/s1
InChIKeyXQMKEDZFGXDABK-OAHLLOKOSA-N
MW338.42 g/mol
LogP2.24
Rot. Bonds3

About [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 95602985) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID95602985
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cn3cccnc3n2)n1
InChIInChI=1S/C18H22N6O/c1-13-10-14(2)24(21-13)11-15-6-3-4-9-23(15)17(25)16-12-22-8-5-7-19-18(22)20-16/h5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3/t15-/m1/s1
InChIKeyXQMKEDZFGXDABK-OAHLLOKOSA-N
XLogP2.24
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone with MolForge

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Related Compounds

imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603261
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
1-[2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95766670
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanone
CID 95350973
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 95602985) is [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cn3cccnc3n2)n1.
What is the InChIKey of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is XQMKEDZFGXDABK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-10-14(2)24(21-13)11-15-6-3-4-9-23(15)17(25)16-12-22-8-5-7-19-18(22)20-16/h5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 338.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 95602985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).