[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

C25H31N5O2 — CID 124939502

About [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone

[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 124939502) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
• PubChem CID: 124939502
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
• SMILES: CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1
• InChI: InChI=1S/C25H31N5O2/c1-4-23-26-14-16-30(23)24-9-5-7-21(27-24)22-8-6-15-29(22)25(31)19-10-12-20(13-11-19)32-18-17-28(2)3/h5,7,9-14,16,22H,4,6,8,15,17-18H2,1-3H3/t22-/m1/s1
• InChIKey: AAAHWCWPZPSPIW-JOCHJYFZSA-N
• XLogP: 3.75
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The IUPAC name of [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 124939502) is [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN(C)C)cc2)n1.

What is the InChIKey of [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The InChIKey is AAAHWCWPZPSPIW-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-23-26-14-16-30(23)24-9-5-7-21(27-24)22-8-6-15-29(22)25(31)19-10-12-20(13-11-19)32-18-17-28(2)3/h5,7,9-14,16,22H,4,6,8,15,17-18H2,1-3H3/t22-/m1/s1.

What are the key properties of [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone?

[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 433.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124939502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).