3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

C23H28N6O — CID 92617351

About 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 92617351) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
• PubChem CID: 92617351
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
• SMILES: CCc1nccn1CCC(=O)N1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1
• InChI: InChI=1S/C23H28N6O/c1-3-22-26-7-11-28(22)10-6-23(30)29-8-4-18(5-9-29)21-13-19(12-17(2)27-21)20-14-24-16-25-15-20/h7,11-16,18H,3-6,8-10H2,1-2H3
• InChIKey: MZGCDPZNOKWMSF-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 76.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 92617351) is 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1.

What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?

The InChIKey is MZGCDPZNOKWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-22-26-7-11-28(22)10-6-23(30)29-8-4-18(5-9-29)21-13-19(12-17(2)27-21)20-14-24-16-25-15-20/h7,11-16,18H,3-6,8-10H2,1-2H3.

What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one?

3-(2-ethylimidazol-1-yl)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 404.52 g/mol, XLogP of 3.40, 6 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)-1-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92617351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).