[(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

C163H141F5N22O12 — CID 158723372

About [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate

[(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (PubChem CID 158723372) has the molecular formula C163H141F5N22O12 and a molecular weight of 2695.05 g/mol. Its IUPAC name is [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
• PubChem CID: 158723372
• Molecular Formula: C163H141F5N22O12
• Molecular Weight: 2695.05 g/mol
• Exact Mass: 2693.10
• IUPAC Name: [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate
• SMILES: Cc1cc(-c2ncccc2-c2ccc3cnc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnc(C(=O)OC[C@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@@H](CC4=CCc5ccccc54)NC(=O)OC(C)(C)C)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@@H](N)CC4=CCc5ccccc54)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@H](N)CC4=CCc5ccccc54)ncc3c2)ccc1F
• InChI: InChI=1S/C37H35FN4O4.2C32H27FN4O2.2C31H26FN5O2/c1-23-18-27(13-14-32(23)38)33-31(10-7-16-39-33)26-15-17-42-29(20-26)21-40-34(42)35(43)45-22-28(41-36(44)46-37(2,3)4)19-25-12-11-24-8-5-6-9-30(24)25;2*1-20-15-24(10-11-29(20)33)30-28(7-4-13-35-30)23-12-14-37-26(17-23)18-36-31(37)32(38)39-19-25(34)16-22-9-8-21-5-2-3-6-27(21)22;2*1-19-13-20(9-11-27(19)32)29-26(6-4-12-34-29)21-8-10-24-16-36-30(37(24)17-21)31(38)39-18-23(33)14-22-15-35-28-7-3-2-5-25(22)28/h5-10,12-18,20-21,28H,11,19,22H2,1-4H3,(H,41,44);2*2-7,9-15,17-18,25H,8,16,19,34H2,1H3;2*2-13,15-17,23,35H,14,18,33H2,1H3/t28-;2*25-;2*23-/m11010/s1
• InChIKey: IKEPZNVDPUCXSO-KHLCHQMDSA-N
• XLogP: 31.08
• TPSA: 456.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2695.05
LogP ≤ 5	31.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?

The IUPAC name of [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate (CID 158723372) is [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate.

What is the SMILES notation for [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?

The canonical SMILES for [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is Cc1cc(-c2ncccc2-c2ccc3cnc(C(=O)OC[C@@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnc(C(=O)OC[C@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@@H](CC4=CCc5ccccc54)NC(=O)OC(C)(C)C)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@@H](N)CC4=CCc5ccccc54)ncc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3c(C(=O)OC[C@H](N)CC4=CCc5ccccc54)ncc3c2)ccc1F.

What is the InChIKey of [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?

The InChIKey is IKEPZNVDPUCXSO-KHLCHQMDSA-N. The full InChI is InChI=1S/C37H35FN4O4.2C32H27FN4O2.2C31H26FN5O2/c1-23-18-27(13-14-32(23)38)33-31(10-7-16-39-33)26-15-17-42-29(20-26)21-40-34(42)35(43)45-22-28(41-36(44)46-37(2,3)4)19-25-12-11-24-8-5-6-9-30(24)25;2*1-20-15-24(10-11-29(20)33)30-28(7-4-13-35-30)23-12-14-37-26(17-23)18-36-31(37)32(38)39-19-25(34)16-22-9-8-21-5-2-3-6-27(21)22;2*1-19-13-20(9-11-27(19)32)29-26(6-4-12-34-29)21-8-10-24-16-36-30(37(24)17-21)31(38)39-18-23(33)14-22-15-35-28-7-3-2-5-25(22)28/h5-10,12-18,20-21,28H,11,19,22H2,1-4H3,(H,41,44);2*2-7,9-15,17-18,25H,8,16,19,34H2,1H3;2*2-13,15-17,23,35H,14,18,33H2,1H3/t28-;2*25-;2*23-/m11010/s1.

What are the key properties of [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate?

[(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate has a molecular weight of 2695.05 g/mol, XLogP of 31.08, 36 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(3H-inden-1-yl)propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2S)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate;[(2R)-3-(3H-inden-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 158723372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).