2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

C60H68F6N8O6Si — CID 160638511

About 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone

2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (PubChem CID 160638511) has the molecular formula C60H68F6N8O6Si and a molecular weight of 1139.33 g/mol. Its IUPAC name is 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
• PubChem CID: 160638511
• Molecular Formula: C60H68F6N8O6Si
• Molecular Weight: 1139.33 g/mol
• Exact Mass: 1138.49
• IUPAC Name: 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone
• SMILES: C[C@H]1CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@@H]3O)C[C@@H](N)[C@@H]1O.C[C@H]1CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@H]3O)C[C@@H](N)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H41F3N4O3Si.C27H27F3N4O3/c1-18-16-40(17-24(37)32(18)43-44(5,6)33(2,3)4)31-19(15-38-29-20(31)10-13-26(29)41)14-27(42)25-12-11-23(36)30(39-25)28-21(34)8-7-9-22(28)35;1-13-11-34(12-19(31)27(13)37)26-14(10-32-24-15(26)5-8-21(24)35)9-22(36)20-7-6-18(30)25(33-20)23-16(28)3-2-4-17(23)29/h7-9,11-12,15,18,24,26,32,41H,10,13-14,16-17,37H2,1-6H3;2-4,6-7,10,13,19,21,27,35,37H,5,8-9,11-12,31H2,1H3/t18-,24+,26+,32+;13-,19+,21-,27+/m00/s1
• InChIKey: RIVZMMCTDKCANX-YJAKKTTQSA-N
• XLogP: 9.25
• TPSA: 214.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1139.33
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?

The IUPAC name of 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone (CID 160638511) is 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?

The canonical SMILES for 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is C[C@H]1CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@@H]3O)C[C@@H](N)[C@@H]1O.C[C@H]1CN(c2c(CC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@H]3O)C[C@@H](N)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?

The InChIKey is RIVZMMCTDKCANX-YJAKKTTQSA-N. The full InChI is InChI=1S/C33H41F3N4O3Si.C27H27F3N4O3/c1-18-16-40(17-24(37)32(18)43-44(5,6)33(2,3)4)31-19(15-38-29-20(31)10-13-26(29)41)14-27(42)25-12-11-23(36)30(39-25)28-21(34)8-7-9-22(28)35;1-13-11-34(12-19(31)27(13)37)26-14(10-32-24-15(26)5-8-21(24)35)9-22(36)20-7-6-18(30)25(33-20)23-16(28)3-2-4-17(23)29/h7-9,11-12,15,18,24,26,32,41H,10,13-14,16-17,37H2,1-6H3;2-4,6-7,10,13,19,21,27,35,37H,5,8-9,11-12,31H2,1H3/t18-,24+,26+,32+;13-,19+,21-,27+/m00/s1.

What are the key properties of 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone?

2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone has a molecular weight of 1139.33 g/mol, XLogP of 9.25, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7R)-4-[(3R,4R,5S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone;2-[(7S)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethanone is sourced from PubChem (CID 160638511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).