2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid

C23H25N3O5 — CID 24812317

About 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 24812317) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid
• PubChem CID: 24812317
• Molecular Formula: C23H25N3O5
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.18
• IUPAC Name: 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)COCC(=O)O)C3)n3ccccc23)c1
• InChI: InChI=1S/C23H25N3O5/c1-30-18-8-4-6-16(12-18)22-19-9-2-3-11-26(19)23(24-22)17-7-5-10-25(13-17)20(27)14-31-15-21(28)29/h2-4,6,8-9,11-12,17H,5,7,10,13-15H2,1H3,(H,28,29)
• InChIKey: NRYRZBFAJLGJNY-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid?

The IUPAC name of 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid (CID 24812317) is 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid.

What is the SMILES notation for 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid?

The canonical SMILES for 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid is COc1cccc(-c2nc(C3CCCN(C(=O)COCC(=O)O)C3)n3ccccc23)c1.

What is the InChIKey of 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid?

The InChIKey is NRYRZBFAJLGJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-30-18-8-4-6-16(12-18)22-19-9-2-3-11-26(19)23(24-22)17-7-5-10-25(13-17)20(27)14-31-15-21(28)29/h2-4,6,8-9,11-12,17H,5,7,10,13-15H2,1H3,(H,28,29).

What are the key properties of 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid?

2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 423.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 24812317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).