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

C18H22N6O — CID 56779772

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCc1nccn1C1CCCN(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
InChIKeyMJAOONDJYYGBSR-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.27
Rot. Bonds3

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

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 56779772) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID56779772
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCCc1nccn1C1CCCN(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
InChIKeyMJAOONDJYYGBSR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 56779772) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CCc1nccn1C1CCCN(C(=O)c2cnn3ccc(C)nc23)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is MJAOONDJYYGBSR-UHFFFAOYSA-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.
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[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 [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 56779772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).