N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

C92H107FN16O14 — CID 155449326

About N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155449326) has the molecular formula C92H107FN16O14 and a molecular weight of 1679.96 g/mol. Its IUPAC name is N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 155449326
• Molecular Formula: C92H107FN16O14
• Molecular Weight: 1679.96 g/mol
• Exact Mass: 1678.81
• IUPAC Name: N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
• SMILES: COc1cc2nn([C@@H]3CC[C@@H](CN4CCC(OC5CC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C(C4C[C@@H](n5cc6cc(NC(=O)c7cccc(C)n7)c(C(C)(C)O)cc6n5)CC[C@@H]4CN4CCC(COCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1
• InChI: InChI=1S/C92H107FN16O14/c1-51-12-7-17-69(95-51)83(112)98-73-38-55-48-106(102-71(55)44-66(73)92(4,5)120)58-22-20-53(46-104-33-28-52(29-34-104)50-122-37-11-32-94-67-15-8-13-62-81(67)89(118)108(87(62)116)75-24-26-79(110)100-85(75)114)64(42-58)65-43-59(107-49-56-39-74(77(121-6)45-72(56)103-107)99-84(113)70-18-10-19-78(97-70)91(2,3)93)23-21-54(65)47-105-35-30-60(31-36-105)123-61-40-57(41-61)96-68-16-9-14-63-82(68)90(119)109(88(63)117)76-25-27-80(111)101-86(76)115/h7-10,12-19,38-39,44-45,48-49,52-54,57-61,64-65,75-76,94,96,120H,11,20-37,40-43,46-47,50H2,1-6H3,(H,98,112)(H,99,113)(H,100,110,114)(H,101,111,115)/t53-,54+,57?,58+,59-,61?,64?,65?,75?,76?/m1/s1
• InChIKey: MOHLNCISWBVOPW-IJHBKDIISA-N
• XLogP: 11.20
• TPSA: 365.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.96
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 155449326) is N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn([C@@H]3CC[C@@H](CN4CCC(OC5CC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)C(C4C[C@@H](n5cc6cc(NC(=O)c7cccc(C)n7)c(C(C)(C)O)cc6n5)CC[C@@H]4CN4CCC(COCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1.

What is the InChIKey of N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is MOHLNCISWBVOPW-IJHBKDIISA-N. The full InChI is InChI=1S/C92H107FN16O14/c1-51-12-7-17-69(95-51)83(112)98-73-38-55-48-106(102-71(55)44-66(73)92(4,5)120)58-22-20-53(46-104-33-28-52(29-34-104)50-122-37-11-32-94-67-15-8-13-62-81(67)89(118)108(87(62)116)75-24-26-79(110)100-85(75)114)64(42-58)65-43-59(107-49-56-39-74(77(121-6)45-72(56)103-107)99-84(113)70-18-10-19-78(97-70)91(2,3)93)23-21-54(65)47-105-35-30-60(31-36-105)123-61-40-57(41-61)96-68-16-9-14-63-82(68)90(119)109(88(63)117)76-25-27-80(111)101-86(76)115/h7-10,12-19,38-39,44-45,48-49,52-54,57-61,64-65,75-76,94,96,120H,11,20-37,40-43,46-47,50H2,1-6H3,(H,98,112)(H,99,113)(H,100,110,114)(H,101,111,115)/t53-,54+,57?,58+,59-,61?,64?,65?,75?,76?/m1/s1.

What are the key properties of N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 1679.96 g/mol, XLogP of 11.20, 27 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1S,4S)-3-[(2R,5R)-2-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutyl]oxypiperidin-1-yl]methyl]-5-[5-[[6-(2-fluoropropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]cyclohexyl]-4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155449326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).