2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone

C26H34N4O2 — CID 161079189

IUPAC2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CCN(CCOC(C)C)CC4)cc3c2)n1C
InChIInChI=1S/C26H34N4O2/c1-18(2)32-12-11-30-9-7-20(8-10-30)26(31)15-24-14-23-13-21(5-6-22(23)16-28-24)25-17-27-19(3)29(25)4/h5-6,13-14,16-18,20H,7-12,15H2,1-4H3
InChIKeyUFRKGIBJMONCQI-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.19
Rot. Bonds8

About 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone

2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone (PubChem CID 161079189) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
PubChem CID161079189
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
SMILESCc1ncc(-c2ccc3cnc(CC(=O)C4CCN(CCOC(C)C)CC4)cc3c2)n1C
InChIInChI=1S/C26H34N4O2/c1-18(2)32-12-11-30-9-7-20(8-10-30)26(31)15-24-14-23-13-21(5-6-22(23)16-28-24)25-17-27-19(3)29(25)4/h5-6,13-14,16-18,20H,7-12,15H2,1-4H3
InChIKeyUFRKGIBJMONCQI-UHFFFAOYSA-N
XLogP4.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone?
The IUPAC name of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone (CID 161079189) is 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone is Cc1ncc(-c2ccc3cnc(CC(=O)C4CCN(CCOC(C)C)CC4)cc3c2)n1C.
What is the InChIKey of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone?
The InChIKey is UFRKGIBJMONCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18(2)32-12-11-30-9-7-20(8-10-30)26(31)15-24-14-23-13-21(5-6-22(23)16-28-24)25-17-27-19(3)29(25)4/h5-6,13-14,16-18,20H,7-12,15H2,1-4H3.
What are the key properties of 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone?
2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone has a molecular weight of 434.58 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 161079189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).