[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

C22H25N3O3 — CID 126791881

About [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 126791881) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• PubChem CID: 126791881
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• SMILES: CCC1(CO)CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1
• InChI: InChI=1S/C22H25N3O3/c1-2-22(16-26)10-6-12-25(22)21(27)17-7-5-8-19(13-17)28-15-18-14-24-11-4-3-9-20(24)23-18/h3-5,7-9,11,13-14,26H,2,6,10,12,15-16H2,1H3
• InChIKey: WJUYNXFCHNWMAT-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 67.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The IUPAC name of [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (CID 126791881) is [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

What is the SMILES notation for [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The canonical SMILES for [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is CCC1(CO)CCCN1C(=O)c1cccc(OCc2cn3ccccc3n2)c1.

What is the InChIKey of [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The InChIKey is WJUYNXFCHNWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-22(16-26)10-6-12-25(22)21(27)17-7-5-8-19(13-17)28-15-18-14-24-11-4-3-9-20(24)23-18/h3-5,7-9,11,13-14,26H,2,6,10,12,15-16H2,1H3.

What are the key properties of [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

[2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 126791881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).