[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C116H101F4N19O12S — CID 159060644

About [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 159060644) has the molecular formula C116H101F4N19O12S and a molecular weight of 2061.26 g/mol. Its IUPAC name is [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
• PubChem CID: 159060644
• Molecular Formula: C116H101F4N19O12S
• Molecular Weight: 2061.26 g/mol
• Exact Mass: 2059.75
• IUPAC Name: [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
• SMILES: Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(O)CO)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)n3c2)ccc1F
• InChI: InChI=1S/C36H34FN5O4.C31H26FN5O2.C26H20FN5O3S.C23H21FN4O3/c1-22-16-23(11-13-29(22)37)33-28(9-7-15-38-33)24-12-14-32-40-19-31(42(32)20-24)34(43)45-21-26(41-35(44)46-36(2,3)4)17-25-18-39-30-10-6-5-8-27(25)30;1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27;1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35;1-14-9-15(4-6-19(14)24)22-18(3-2-8-25-22)16-5-7-21-26-11-20(28(21)12-16)23(31)27-10-17(30)13-29/h5-16,18-20,26,39H,17,21H2,1-4H3,(H,41,44);2-13,15-17,23,35H,14,18,33H2,1H3;2-15H,1H3,(H,31,33)(H2,28,34,35);2-9,11-12,17,29-30H,10,13H2,1H3,(H,27,31)/t26-;23-;;/m00../s1
• InChIKey: JYKPXSKBYZFFNA-CQIXXRNHSA-N
• XLogP: 20.01
• TPSA: 428.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2061.26
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The IUPAC name of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 159060644) is [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

What is the SMILES notation for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The canonical SMILES for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(O)CO)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](Cc4c[nH]c5ccccc45)NC(=O)OC(C)(C)C)n3c2)ccc1F.

What is the InChIKey of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

The InChIKey is JYKPXSKBYZFFNA-CQIXXRNHSA-N. The full InChI is InChI=1S/C36H34FN5O4.C31H26FN5O2.C26H20FN5O3S.C23H21FN4O3/c1-22-16-23(11-13-29(22)37)33-28(9-7-15-38-33)24-12-14-32-40-19-31(42(32)20-24)34(43)45-21-26(41-35(44)46-36(2,3)4)17-25-18-39-30-10-6-5-8-27(25)30;1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27;1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35;1-14-9-15(4-6-19(14)24)22-18(3-2-8-25-22)16-5-7-21-26-11-20(28(21)12-16)23(31)27-10-17(30)13-29/h5-16,18-20,26,39H,17,21H2,1-4H3,(H,41,44);2-13,15-17,23,35H,14,18,33H2,1H3;2-15H,1H3,(H,31,33)(H2,28,34,35);2-9,11-12,17,29-30H,10,13H2,1H3,(H,27,31)/t26-;23-;;/m00../s1.

What are the key properties of [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?

[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 2061.26 g/mol, XLogP of 20.01, 26 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate;N-(2,3-dihydroxypropyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 159060644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).