(3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

C22H23N3O4 — CID 122112307

About (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122112307) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 122112307
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
• SMILES: Cc1ccc2nc(COc3ccccc3C(=O)N3C[C@@H](C)[C@H](C(=O)O)C3)cn2c1
• InChI: InChI=1S/C22H23N3O4/c1-14-7-8-20-23-16(11-24(20)9-14)13-29-19-6-4-3-5-17(19)21(26)25-10-15(2)18(12-25)22(27)28/h3-9,11,15,18H,10,12-13H2,1-2H3,(H,27,28)/t15-,18-/m1/s1
• InChIKey: GPSSDJYREHRXMK-CRAIPNDOSA-N
• XLogP: 3.01
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid (CID 122112307) is (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is Cc1ccc2nc(COc3ccccc3C(=O)N3C[C@@H](C)[C@H](C(=O)O)C3)cn2c1.

What is the InChIKey of (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

The InChIKey is GPSSDJYREHRXMK-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-7-8-20-23-16(11-24(20)9-14)13-29-19-6-4-3-5-17(19)21(26)25-10-15(2)18(12-25)22(27)28/h3-9,11,15,18H,10,12-13H2,1-2H3,(H,27,28)/t15-,18-/m1/s1.

What are the key properties of (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid?

(3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 393.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-4-methyl-1-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122112307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).