[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C18H22N6O — CID 95606652

IUPAC[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1
InChIInChI=1S/C18H22N6O/c1-3-16-19-7-10-23(16)14-5-4-8-22(12-14)18(25)15-11-20-24-9-6-13(2)21-17(15)24/h6-7,9-11,14H,3-5,8,12H2,1-2H3/t14-/m1/s1
InChIKeyMJAOONDJYYGBSR-CQSZACIVSA-N
MW338.42 g/mol
LogP2.27
Rot. Bonds3

About [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 95606652) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID95606652
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1
InChIInChI=1S/C18H22N6O/c1-3-16-19-7-10-23(16)14-5-4-8-22(12-14)18(25)15-11-20-24-9-6-13(2)21-17(15)24/h6-7,9-11,14H,3-5,8,12H2,1-2H3/t14-/m1/s1
InChIKeyMJAOONDJYYGBSR-CQSZACIVSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95335579
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779764
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514397
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 95606570
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95326216

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 95606652) is [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CCc1nccn1[C@@H]1CCCN(C(=O)c2cnn3ccc(C)nc23)C1.
What is the InChIKey of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is MJAOONDJYYGBSR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-16-19-7-10-23(16)14-5-4-8-22(12-14)18(25)15-11-20-24-9-6-13(2)21-17(15)24/h6-7,9-11,14H,3-5,8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 338.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 95606652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).