ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride

C106H119ClF11N15O18 — CID 158342646

About ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride

ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride (PubChem CID 158342646) has the molecular formula C106H119ClF11N15O18 and a molecular weight of 2135.64 g/mol. Its IUPAC name is ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride.

Molecular Properties

• Compound Name: ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride
• PubChem CID: 158342646
• Molecular Formula: C106H119ClF11N15O18
• Molecular Weight: 2135.64 g/mol
• Exact Mass: 2133.84
• IUPAC Name: ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride
• SMILES: C.C.C.CCOC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.Cl.Fc1ccc(O[C@H]2CCOC2)c([C@@H]2C[C@@H](F)CN2)c1.Nc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.O=C(O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1
• InChI: InChI=1S/C24H25F2N3O4.C22H21F2N3O4.C19H19F2N3O4.C19H21F2N3O2.C14H17F2NO2.C5H3FN2O2.3CH4.ClH/c1-2-32-24(30)21-11-27-23-6-4-17(13-29(21)23)28-12-16(26)10-20(28)19-9-15(25)3-5-22(19)33-18-7-8-31-14-18;23-13-1-3-20(31-16-5-6-30-12-16)17(7-13)18-8-14(24)10-26(18)15-2-4-21-25-9-19(22(28)29)27(21)11-15;20-12-1-3-18(28-15-5-6-27-11-15)16(7-12)17-8-13(21)10-23(17)14-2-4-19(22-9-14)24(25)26;20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14;15-9-1-2-14(19-11-3-4-18-8-11)12(5-9)13-6-10(16)7-17-13;6-4-1-2-5(7-3-4)8(9)10;;;;/h3-6,9,11,13,16,18,20H,2,7-8,10,12,14H2,1H3;1-4,7,9,11,14,16,18H,5-6,8,10,12H2,(H,28,29);1-4,7,9,13,15,17H,5-6,8,10-11H2;1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23);1-2,5,10-11,13,17H,3-4,6-8H2;1-3H;3*1H4;1H/t16-,18+,20+;14-,16+,18+;2*13-,15+,17+;10-,11+,13+;;;;;/m00001...../s1
• InChIKey: YSEZGSQFPUVTGS-DEEAQKHQSA-N
• XLogP: 20.41
• TPSA: 366.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.64
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride?

The IUPAC name of ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride (CID 158342646) is ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride.

What is the SMILES notation for ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride?

The canonical SMILES for ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride is C.C.C.CCOC(=O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.Cl.Fc1ccc(O[C@H]2CCOC2)c([C@@H]2C[C@@H](F)CN2)c1.Nc1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.O=C(O)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3O[C@@H]3CCOC3)cn12.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2O[C@@H]2CCOC2)cn1.

What is the InChIKey of ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride?

The InChIKey is YSEZGSQFPUVTGS-DEEAQKHQSA-N. The full InChI is InChI=1S/C24H25F2N3O4.C22H21F2N3O4.C19H19F2N3O4.C19H21F2N3O2.C14H17F2NO2.C5H3FN2O2.3CH4.ClH/c1-2-32-24(30)21-11-27-23-6-4-17(13-29(21)23)28-12-16(26)10-20(28)19-9-15(25)3-5-22(19)33-18-7-8-31-14-18;23-13-1-3-20(31-16-5-6-30-12-16)17(7-13)18-8-14(24)10-26(18)15-2-4-21-25-9-19(22(28)29)27(21)11-15;20-12-1-3-18(28-15-5-6-27-11-15)16(7-12)17-8-13(21)10-23(17)14-2-4-19(22-9-14)24(25)26;20-12-1-3-18(26-15-5-6-25-11-15)16(7-12)17-8-13(21)10-24(17)14-2-4-19(22)23-9-14;15-9-1-2-14(19-11-3-4-18-8-11)12(5-9)13-6-10(16)7-17-13;6-4-1-2-5(7-3-4)8(9)10;;;;/h3-6,9,11,13,16,18,20H,2,7-8,10,12,14H2,1H3;1-4,7,9,11,14,16,18H,5-6,8,10,12H2,(H,28,29);1-4,7,9,13,15,17H,5-6,8,10-11H2;1-4,7,9,13,15,17H,5-6,8,10-11H2,(H2,22,23);1-2,5,10-11,13,17H,3-4,6-8H2;1-3H;3*1H4;1H/t16-,18+,20+;14-,16+,18+;2*13-,15+,17+;10-,11+,13+;;;;;/m00001...../s1.

What are the key properties of ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride?

ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride has a molecular weight of 2135.64 g/mol, XLogP of 20.41, 24 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;(2S,4R)-4-fluoro-2-[5-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]pyrrolidine;6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]-2-nitropyridine;5-[(2R,4S)-4-fluoro-2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]pyrrolidin-1-yl]pyridin-2-amine;5-fluoro-2-nitropyridine;methane;hydrochloride is sourced from PubChem (CID 158342646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).