2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one

C22H25N5O2 — CID 71497994

IUPAC2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1
InChIInChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3
InChIKeyIZIRHBWCFUAUAR-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.36
Rot. Bonds5

About 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one

2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 71497994) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID71497994
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1
InChIInChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3
InChIKeyIZIRHBWCFUAUAR-UHFFFAOYSA-N
XLogP3.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 71497994) is 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1.
What is the InChIKey of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is IZIRHBWCFUAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 391.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 71497994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).