1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C22H26N4O2 — CID 53194816

About 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 53194816) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• PubChem CID: 53194816
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
• SMILES: COCCn1c(C2CCN(C(=O)CCc3ccccc3)C2)nc2ccncc21
• InChI: InChI=1S/C22H26N4O2/c1-28-14-13-26-20-15-23-11-9-19(20)24-22(26)18-10-12-25(16-18)21(27)8-7-17-5-3-2-4-6-17/h2-6,9,11,15,18H,7-8,10,12-14,16H2,1H3
• InChIKey: PBIRVBXAOHSVQK-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The IUPAC name of 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 53194816) is 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

What is the SMILES notation for 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The canonical SMILES for 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is COCCn1c(C2CCN(C(=O)CCc3ccccc3)C2)nc2ccncc21.

What is the InChIKey of 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

The InChIKey is PBIRVBXAOHSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-14-13-26-20-15-23-11-9-19(20)24-22(26)18-10-12-25(16-18)21(27)8-7-17-5-3-2-4-6-17/h2-6,9,11,15,18H,7-8,10,12-14,16H2,1H3.

What are the key properties of 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one?

1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 378.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 53194816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).