6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

C68H60Cl2N8O11S2 — CID 161247580

About 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 161247580) has the molecular formula C68H60Cl2N8O11S2 and a molecular weight of 1300.31 g/mol. Its IUPAC name is 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
• PubChem CID: 161247580
• Molecular Formula: C68H60Cl2N8O11S2
• Molecular Weight: 1300.31 g/mol
• Exact Mass: 1298.32
• IUPAC Name: 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1
• InChI: InChI=1S/C34H29ClN4O5S.C26H26N2O4S.C8H5ClN2O2/c1-2-43-34(42)28-19-45-32(37-28)29-13-20(15-39(29)33(41)27-17-38-16-21(35)11-12-30(38)36-27)14-31(40)44-18-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h3-12,16-17,19-20,26,29H,2,13-15,18H2,1H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;1-4H,(H,12,13)/t20-,29-;16-,22-;/m00./s1
• InChIKey: VAVMABXSKSOEOM-XEZSTWBOSA-N
• XLogP: 12.97
• TPSA: 235.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1300.31
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The IUPAC name of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate (CID 161247580) is 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2)n1.CCOC(=O)c1csc([C@@H]2C[C@@H](CC(=O)OCC3c4ccccc4-c4ccccc43)CN2C(=O)c2cn3cc(Cl)ccc3n2)n1.O=C(O)c1cn2cc(Cl)ccc2n1.

What is the InChIKey of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

The InChIKey is VAVMABXSKSOEOM-XEZSTWBOSA-N. The full InChI is InChI=1S/C34H29ClN4O5S.C26H26N2O4S.C8H5ClN2O2/c1-2-43-34(42)28-19-45-32(37-28)29-13-20(15-39(29)33(41)27-17-38-16-21(35)11-12-30(38)36-27)14-31(40)44-18-26-24-9-5-3-7-22(24)23-8-4-6-10-25(23)26;1-2-31-26(30)23-15-33-25(28-23)22-11-16(13-27-22)12-24(29)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;9-5-1-2-7-10-6(8(12)13)4-11(7)3-5/h3-12,16-17,19-20,26,29H,2,13-15,18H2,1H3;3-10,15-16,21-22,27H,2,11-14H2,1H3;1-4H,(H,12,13)/t20-,29-;16-,22-;/m00./s1.

What are the key properties of 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate?

6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 1300.31 g/mol, XLogP of 12.97, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-[(2S,4S)-1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;ethyl 2-[(2S,4S)-4-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 161247580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).