N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide

C60H66F2N10O5S — CID 167308706

About N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide

N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide (PubChem CID 167308706) has the molecular formula C60H66F2N10O5S and a molecular weight of 1077.32 g/mol. Its IUPAC name is N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide
• PubChem CID: 167308706
• Molecular Formula: C60H66F2N10O5S
• Molecular Weight: 1077.32 g/mol
• Exact Mass: 1076.49
• IUPAC Name: N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide
• SMILES: C[C@@H]1CCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ccc(N6CCC(N7CCN(c8ccc(C(=O)NCc9ccc%10c(c9)CN(C9CCC(=O)NC9=O)C%10=O)c(F)c8)CC7)CC6)c(F)c5)c4)cn3)CC2)[C@@H]1C1CC1
• InChI: InChI=1S/C60H66F2N10O5S/c1-37-15-18-60(55(37)39-6-7-39)19-23-71(24-20-60)52-34-64-54(35-63-52)78-45-4-2-3-42(31-45)66-56(74)40-8-12-50(49(62)30-40)70-21-16-43(17-22-70)68-25-27-69(28-26-68)44-9-11-47(48(61)32-44)57(75)65-33-38-5-10-46-41(29-38)36-72(59(46)77)51-13-14-53(73)67-58(51)76/h2-5,8-12,29-32,34-35,37,39,43,51,55H,6-7,13-28,33,36H2,1H3,(H,65,75)(H,66,74)(H,67,73,76)/t37-,51?,55+/m1/s1
• InChIKey: DOPOTWQWONNWAC-YGQVKUJRSA-N
• XLogP: 8.68
• TPSA: 163.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.32
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide?

The IUPAC name of N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide (CID 167308706) is N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide.

What is the SMILES notation for N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide?

The canonical SMILES for N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide is C[C@@H]1CCC2(CCN(c3cnc(Sc4cccc(NC(=O)c5ccc(N6CCC(N7CCN(c8ccc(C(=O)NCc9ccc%10c(c9)CN(C9CCC(=O)NC9=O)C%10=O)c(F)c8)CC7)CC6)c(F)c5)c4)cn3)CC2)[C@@H]1C1CC1.

What is the InChIKey of N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide?

The InChIKey is DOPOTWQWONNWAC-YGQVKUJRSA-N. The full InChI is InChI=1S/C60H66F2N10O5S/c1-37-15-18-60(55(37)39-6-7-39)19-23-71(24-20-60)52-34-64-54(35-63-52)78-45-4-2-3-42(31-45)66-56(74)40-8-12-50(49(62)30-40)70-21-16-43(17-22-70)68-25-27-69(28-26-68)44-9-11-47(48(61)32-44)57(75)65-33-38-5-10-46-41(29-38)36-72(59(46)77)51-13-14-53(73)67-58(51)76/h2-5,8-12,29-32,34-35,37,39,43,51,55H,6-7,13-28,33,36H2,1H3,(H,65,75)(H,66,74)(H,67,73,76)/t37-,51?,55+/m1/s1.

What are the key properties of N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide?

N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide has a molecular weight of 1077.32 g/mol, XLogP of 8.68, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(3R,4S)-4-cyclopropyl-3-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylphenyl]-4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylcarbamoyl]-3-fluorophenyl]piperazin-1-yl]piperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 167308706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).