tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

C79H75N19O9S3 — CID 160817364

About tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid

tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 160817364) has the molecular formula C79H75N19O9S3 and a molecular weight of 1530.79 g/mol. Its IUPAC name is tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
• PubChem CID: 160817364
• Molecular Formula: C79H75N19O9S3
• Molecular Weight: 1530.79 g/mol
• Exact Mass: 1529.52
• IUPAC Name: tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.O=C(O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12
• InChI: InChI=1S/C29H31N7O3S.C27H26N6O3S.C23H18N6O3S/c1-18(2)14-21(16-37)31-27(38)25-24(20-9-13-40-17-20)32-26-22(6-5-12-36(25)26)29-34-33-28(39-29)19-7-8-23(30-15-19)35-10-3-4-11-35;1-27(2,3)36-26(34)22-21(18-10-14-37-16-18)29-23-19(7-6-13-33(22)23)25-31-30-24(35-25)17-8-9-20(28-15-17)32-11-4-5-12-32;30-23(31)19-18(15-7-11-33-13-15)25-20-16(4-3-10-29(19)20)22-27-26-21(32-22)14-5-6-17(24-12-14)28-8-1-2-9-28/h5-9,12-13,15,17-18,21,37H,3-4,10-11,14,16H2,1-2H3,(H,31,38);6-10,13-16H,4-5,11-12H2,1-3H3;3-7,10-13H,1-2,8-9H2,(H,30,31)/t21-;;/m0../s1
• InChIKey: SFBNXUQYFSXSBK-FGJQBABTSA-N
• XLogP: 15.12
• TPSA: 329.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1530.79
LogP ≤ 5	15.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?

The IUPAC name of tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 160817364) is tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.O=C(O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.

What is the InChIKey of tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?

The InChIKey is SFBNXUQYFSXSBK-FGJQBABTSA-N. The full InChI is InChI=1S/C29H31N7O3S.C27H26N6O3S.C23H18N6O3S/c1-18(2)14-21(16-37)31-27(38)25-24(20-9-13-40-17-20)32-26-22(6-5-12-36(25)26)29-34-33-28(39-29)19-7-8-23(30-15-19)35-10-3-4-11-35;1-27(2,3)36-26(34)22-21(18-10-14-37-16-18)29-23-19(7-6-13-33(22)23)25-31-30-24(35-25)17-8-9-20(28-15-17)32-11-4-5-12-32;30-23(31)19-18(15-7-11-33-13-15)25-20-16(4-3-10-29(19)20)22-27-26-21(32-22)14-5-6-17(24-12-14)28-8-1-2-9-28/h5-9,12-13,15,17-18,21,37H,3-4,10-11,14,16H2,1-2H3,(H,31,38);6-10,13-16H,4-5,11-12H2,1-3H3;3-7,10-13H,1-2,8-9H2,(H,30,31)/t21-;;/m0../s1.

What are the key properties of tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid?

tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 1530.79 g/mol, XLogP of 15.12, 19 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide;8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 160817364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).