3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione

C59H64F3N7O5 — CID 177356226

About 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione

3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione (PubChem CID 177356226) has the molecular formula C59H64F3N7O5 and a molecular weight of 1008.20 g/mol. Its IUPAC name is 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione
• PubChem CID: 177356226
• Molecular Formula: C59H64F3N7O5
• Molecular Weight: 1008.20 g/mol
• Exact Mass: 1007.49
• IUPAC Name: 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione
• SMILES: CNc1cc(=O)n(-c2ccnc3c2C=C([C@H](C)N2CC=C(c4c(C)cc(C(=O)C=C5CCC(F)(CN6CCC(c7ccc8c(c7)C7(CC7)C(=O)N8C7CCC(=O)NC7=O)CC6)CC5)cc4F)CC2)C(C)C3)cc1F
• InChI: InChI=1S/C59H64F3N7O5/c1-34-26-47-43(49(11-20-64-47)68-32-46(61)48(63-4)31-54(68)72)30-42(34)36(3)67-23-14-39(15-24-67)55-35(2)25-41(29-45(55)60)52(70)27-37-9-16-58(62,17-10-37)33-66-21-12-38(13-22-66)40-5-6-50-44(28-40)59(18-19-59)57(74)69(50)51-7-8-53(71)65-56(51)73/h5-6,11,14,20,25,27-32,34,36,38,51,63H,7-10,12-13,15-19,21-24,26,33H2,1-4H3,(H,65,71,73)/b37-27-/t34?,36-,51?,58?/m0/s1
• InChIKey: SHQMIPCEFBQFAK-TTXIDRAYSA-N
• XLogP: 9.07
• TPSA: 136.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.20
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione (CID 177356226) is 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione is CNc1cc(=O)n(-c2ccnc3c2C=C([C@H](C)N2CC=C(c4c(C)cc(C(=O)C=C5CCC(F)(CN6CCC(c7ccc8c(c7)C7(CC7)C(=O)N8C7CCC(=O)NC7=O)CC6)CC5)cc4F)CC2)C(C)C3)cc1F.

What is the InChIKey of 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?

The InChIKey is SHQMIPCEFBQFAK-TTXIDRAYSA-N. The full InChI is InChI=1S/C59H64F3N7O5/c1-34-26-47-43(49(11-20-64-47)68-32-46(61)48(63-4)31-54(68)72)30-42(34)36(3)67-23-14-39(15-24-67)55-35(2)25-41(29-45(55)60)52(70)27-37-9-16-58(62,17-10-37)33-66-21-12-38(13-22-66)40-5-6-50-44(28-40)59(18-19-59)57(74)69(50)51-7-8-53(71)65-56(51)73/h5-6,11,14,20,25,27-32,34,36,38,51,63H,7-10,12-13,15-19,21-24,26,33H2,1-4H3,(H,65,71,73)/b37-27-/t34?,36-,51?,58?/m0/s1.

What are the key properties of 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione?

3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione has a molecular weight of 1008.20 g/mol, XLogP of 9.07, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5'-[1-[[1-fluoro-4-[2-[3-fluoro-4-[1-[(1S)-1-[4-[5-fluoro-4-(methylamino)-2-oxo-1-pyridinyl]-7-methyl-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-methylphenyl]-2-oxoethylidene]cyclohexyl]methyl]piperidin-4-yl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione is sourced from PubChem (CID 177356226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).