2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

C126H137F7N18O8Si — CID 160508700

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide

2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (PubChem CID 160508700) has the molecular formula C126H137F7N18O8Si and a molecular weight of 2192.67 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
• PubChem CID: 160508700
• Molecular Formula: C126H137F7N18O8Si
• Molecular Weight: 2192.67 g/mol
• Exact Mass: 2191.05
• IUPAC Name: 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
• SMILES: C=C(CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCCCC1.COc1cccc(F)c1CN1CCC(O[Si](C)(C)C(C)(C)C)C(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@@H](C(C)(F)F)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@H](C(C)(F)F)C1
• InChI: InChI=1S/C36H43FN4O3Si.2C32H31F3N4O2.C26H32N6O/c1-36(2,3)45(5,6)44-32-14-16-40(23-29-30(37)8-7-9-33(29)43-4)21-27(32)19-31(42)24-10-11-25-20-39-35(28(25)18-24)26-12-13-34-38-15-17-41(34)22-26;2*1-32(34,35)24-12-20(16-38(18-24)19-26-27(33)4-3-5-29(26)41-2)13-28(40)21-6-7-22-15-37-31(25(22)14-21)23-8-9-30-36-10-11-39(30)17-23;1-19(32-14-3-2-4-15-32)17-31-13-5-6-22(18-31)28-26(33)21-7-8-24-23(16-21)25(30-29-24)20-9-11-27-12-10-20/h7-13,15,17-18,22,27,32H,14,16,19-21,23H2,1-6H3;2*3-11,14,17,20,24H,12-13,15-16,18-19H2,1-2H3;7-12,16,22H,1-6,13-15,17-18H2,(H,28,33)(H,29,30)/t;20-,24+;20-,24-;22-/m.001/s1
• InChIKey: QSTIASYHAOAVHP-YJXBXWNRSA-N
• XLogP: 23.54
• TPSA: 263.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.67
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?

The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide (CID 160508700) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide.

What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?

The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is C=C(CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCCCC1.COc1cccc(F)c1CN1CCC(O[Si](C)(C)C(C)(C)C)C(CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@@H](C(C)(F)F)C1.COc1cccc(F)c1CN1C[C@H](CC(=O)c2ccc3c(c2)C(c2ccc4nccn4c2)=NC3)C[C@H](C(C)(F)F)C1.

What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?

The InChIKey is QSTIASYHAOAVHP-YJXBXWNRSA-N. The full InChI is InChI=1S/C36H43FN4O3Si.2C32H31F3N4O2.C26H32N6O/c1-36(2,3)45(5,6)44-32-14-16-40(23-29-30(37)8-7-9-33(29)43-4)21-27(32)19-31(42)24-10-11-25-20-39-35(28(25)18-24)26-12-13-34-38-15-17-41(34)22-26;2*1-32(34,35)24-12-20(16-38(18-24)19-26-27(33)4-3-5-29(26)41-2)13-28(40)21-6-7-22-15-37-31(25(22)14-21)23-8-9-30-36-10-11-39(30)17-23;1-19(32-14-3-2-4-15-32)17-31-13-5-6-22(18-31)28-26(33)21-7-8-24-23(16-21)25(30-29-24)20-9-11-27-12-10-20/h7-13,15,17-18,22,27,32H,14,16,19-21,23H2,1-6H3;2*3-11,14,17,20,24H,12-13,15-16,18-19H2,1-2H3;7-12,16,22H,1-6,13-15,17-18H2,(H,28,33)(H,29,30)/t;20-,24+;20-,24-;22-/m.001/s1.

What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide?

2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide has a molecular weight of 2192.67 g/mol, XLogP of 23.54, 31 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;N-[(3R)-1-(2-piperidin-1-ylprop-2-enyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 160508700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).