2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid

C33H29Cl2N9O6S2 — CID 157149224

About 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 157149224) has the molecular formula C33H29Cl2N9O6S2 and a molecular weight of 782.69 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
• PubChem CID: 157149224
• Molecular Formula: C33H29Cl2N9O6S2
• Molecular Weight: 782.69 g/mol
• Exact Mass: 781.11
• IUPAC Name: 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
• SMILES: C[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1.N[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1
• InChI: InChI=1S/C17H15ClN4O3S.C16H14ClN5O3S/c1-9-4-13(15-20-12(8-26-15)17(24)25)22(5-9)16(23)11-7-21-6-10(18)2-3-14(21)19-11;17-8-1-2-13-19-10(6-21(13)4-8)15(23)22-5-9(18)3-12(22)14-20-11(7-26-14)16(24)25/h2-3,6-9,13H,4-5H2,1H3,(H,24,25);1-2,4,6-7,9,12H,3,5,18H2,(H,24,25)/t9-,13+;9-,12+/m11/s1
• InChIKey: ALBGZERTDVDYSP-HHPQYQETSA-N
• XLogP: 5.42
• TPSA: 201.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.69
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid (CID 157149224) is 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid is C[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1.N[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3cc(Cl)ccc3n2)C1.

What is the InChIKey of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is ALBGZERTDVDYSP-HHPQYQETSA-N. The full InChI is InChI=1S/C17H15ClN4O3S.C16H14ClN5O3S/c1-9-4-13(15-20-12(8-26-15)17(24)25)22(5-9)16(23)11-7-21-6-10(18)2-3-14(21)19-11;17-8-1-2-13-19-10(6-21(13)4-8)15(23)22-5-9(18)3-12(22)14-20-11(7-26-14)16(24)25/h2-3,6-9,13H,4-5H2,1H3,(H,24,25);1-2,4,6-7,9,12H,3,5,18H2,(H,24,25)/t9-,13+;9-,12+/m11/s1.

What are the key properties of 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?

2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 782.69 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,4R)-4-amino-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid;2-[(2S,4R)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-methylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 157149224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).