(2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide

C53H60F4N10O4 — CID 178081955

About (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide

(2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide (PubChem CID 178081955) has the molecular formula C53H60F4N10O4 and a molecular weight of 977.12 g/mol. Its IUPAC name is (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
• PubChem CID: 178081955
• Molecular Formula: C53H60F4N10O4
• Molecular Weight: 977.12 g/mol
• Exact Mass: 976.47
• IUPAC Name: (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
• SMILES: O=C1CCC(Nc2ccc(N3CCC4(CCN(CC5CCN(C(=O)Cn6cc(-c7ccc(NC(=O)[C@H](NCCc8ccc(C(F)(F)F)cc8)c8ccccc8)nc7)cn6)CC5)CC4)CC3)c(F)c2)C(=O)N1
• InChI: InChI=1S/C53H60F4N10O4/c54-43-30-42(61-44-12-15-47(68)63-50(44)70)11-13-45(43)65-28-21-52(22-29-65)19-26-64(27-20-52)33-37-17-24-66(25-18-37)48(69)35-67-34-40(32-60-67)39-8-14-46(59-31-39)62-51(71)49(38-4-2-1-3-5-38)58-23-16-36-6-9-41(10-7-36)53(55,56)57/h1-11,13-14,30-32,34,37,44,49,58,61H,12,15-29,33,35H2,(H,59,62,71)(H,63,68,70)/t44?,49-/m1/s1
• InChIKey: JICWGDGYJQOFAD-WJCINHJDSA-N
• XLogP: 7.45
• TPSA: 156.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.12
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?

The IUPAC name of (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide (CID 178081955) is (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide.

What is the SMILES notation for (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?

The canonical SMILES for (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide is O=C1CCC(Nc2ccc(N3CCC4(CCN(CC5CCN(C(=O)Cn6cc(-c7ccc(NC(=O)[C@H](NCCc8ccc(C(F)(F)F)cc8)c8ccccc8)nc7)cn6)CC5)CC4)CC3)c(F)c2)C(=O)N1.

What is the InChIKey of (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?

The InChIKey is JICWGDGYJQOFAD-WJCINHJDSA-N. The full InChI is InChI=1S/C53H60F4N10O4/c54-43-30-42(61-44-12-15-47(68)63-50(44)70)11-13-45(43)65-28-21-52(22-29-65)19-26-64(27-20-52)33-37-17-24-66(25-18-37)48(69)35-67-34-40(32-60-67)39-8-14-46(59-31-39)62-51(71)49(38-4-2-1-3-5-38)58-23-16-36-6-9-41(10-7-36)53(55,56)57/h1-11,13-14,30-32,34,37,44,49,58,61H,12,15-29,33,35H2,(H,59,62,71)(H,63,68,70)/t44?,49-/m1/s1.

What are the key properties of (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide?

(2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide has a molecular weight of 977.12 g/mol, XLogP of 7.45, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[5-[1-[2-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]acetamide is sourced from PubChem (CID 178081955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).