5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

C20H28N4O4 — CID 110154285

About 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 110154285) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
• PubChem CID: 110154285
• Molecular Formula: C20H28N4O4
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.21
• IUPAC Name: 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
• SMILES: CN(CC1(O)CCN(c2cccc3nccn23)C1)C(=O)CC(C)(C)CC(=O)O
• InChI: InChI=1S/C20H28N4O4/c1-19(2,12-18(26)27)11-17(25)22(3)13-20(28)7-9-23(14-20)16-6-4-5-15-21-8-10-24(15)16/h4-6,8,10,28H,7,9,11-14H2,1-3H3,(H,26,27)
• InChIKey: ADOIMOHFMZCJKA-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 98.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?

The IUPAC name of 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 110154285) is 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid.

What is the SMILES notation for 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?

The canonical SMILES for 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is CN(CC1(O)CCN(c2cccc3nccn23)C1)C(=O)CC(C)(C)CC(=O)O.

What is the InChIKey of 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?

The InChIKey is ADOIMOHFMZCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-19(2,12-18(26)27)11-17(25)22(3)13-20(28)7-9-23(14-20)16-6-4-5-15-21-8-10-24(15)16/h4-6,8,10,28H,7,9,11-14H2,1-3H3,(H,26,27).

What are the key properties of 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid?

5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 388.47 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-hydroxy-1-imidazo[1,2-a]pyridin-5-ylpyrrolidin-3-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 110154285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).