N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C53H55F3N8O5 — CID 176908282

About N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 176908282) has the molecular formula C53H55F3N8O5 and a molecular weight of 941.07 g/mol. Its IUPAC name is N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
• PubChem CID: 176908282
• Molecular Formula: C53H55F3N8O5
• Molecular Weight: 941.07 g/mol
• Exact Mass: 940.42
• IUPAC Name: N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(NC2CCN(CC3CN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)n1
• InChI: InChI=1S/C53H55F3N8O5/c1-32(57-49(66)37-10-14-42-36(26-37)4-2-5-41(42)35-8-11-38(12-9-35)53(54,55)56)45-6-3-7-47(59-45)58-39-20-22-61(23-21-39)29-34-30-62(31-34)28-33-18-24-63(25-19-33)40-13-15-43-44(27-40)52(69)64(51(43)68)46-16-17-48(65)60-50(46)67/h2-15,26-27,32-34,39,46H,16-25,28-31H2,1H3,(H,57,66)(H,58,59)(H,60,65,67)/t32-,46?/m0/s1
• InChIKey: GFISYNALSAQMDB-LXQBTASQSA-N
• XLogP: 7.54
• TPSA: 147.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.07
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?

The IUPAC name of N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 176908282) is N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(NC2CCN(CC3CN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)n1.

What is the InChIKey of N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?

The InChIKey is GFISYNALSAQMDB-LXQBTASQSA-N. The full InChI is InChI=1S/C53H55F3N8O5/c1-32(57-49(66)37-10-14-42-36(26-37)4-2-5-41(42)35-8-11-38(12-9-35)53(54,55)56)45-6-3-7-47(59-45)58-39-20-22-61(23-21-39)29-34-30-62(31-34)28-33-18-24-63(25-19-33)40-13-15-43-44(27-40)52(69)64(51(43)68)46-16-17-48(65)60-50(46)67/h2-15,26-27,32-34,39,46H,16-25,28-31H2,1H3,(H,57,66)(H,58,59)(H,60,65,67)/t32-,46?/m0/s1.

What are the key properties of N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?

N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 941.07 g/mol, XLogP of 7.54, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[6-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]amino]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 176908282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).