N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide

C128H139F9N24O17 — CID 155448707

About N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155448707) has the molecular formula C128H139F9N24O17 and a molecular weight of 2456.65 g/mol. Its IUPAC name is N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155448707
• Molecular Formula: C128H139F9N24O17
• Molecular Weight: 2456.65 g/mol
• Exact Mass: 2455.06
• IUPAC Name: N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCO[C@@H](CCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2cc1NC(=O)c1cc(OC(C)(C)c2cc3nn([C@@H]4CC[C@@H](CN(C)CCCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)C(C5C[C@@H](CN6CCC(Cc7cccc8c7n(C)c(=O)n8C7CCC(O)NC7=O)CC6)CC[C@@H]5n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(C)(C)O)cc6n5)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)cc(C(F)(F)F)n1
• InChI: InChI=1S/C128H139F9N24O17/c1-124(2,175)86-60-91-77(54-94(86)142-114(165)89-24-15-28-105(139-89)126(129,130)131)68-158(150-91)98-37-32-72(64-154-48-44-70(45-49-154)52-74-20-13-27-100-113(74)153(7)123(174)160(100)102-39-42-109(163)146-118(102)169)53-85(98)84-57-80(36-33-75(84)65-151(5)47-11-9-10-18-73-19-12-26-99-112(73)152(6)122(173)159(99)101-38-41-108(162)145-117(101)168)157-67-76-55-95(143-115(166)90-25-16-29-106(140-90)127(132,133)134)87(61-92(76)148-157)125(3,4)178-82-58-97(141-107(59-82)128(135,136)137)116(167)144-96-56-78-66-156(149-93(78)62-104(96)176-8)79-34-30-71(31-35-79)63-155-50-51-177-81(69-155)21-17-46-138-88-23-14-22-83-111(88)121(172)161(120(83)171)103-40-43-110(164)147-119(103)170/h12-16,19-20,22-29,54-56,58-62,66-68,70-72,75,79-81,84-85,98,101-103,109,138,163,175H,9,11,17,21,30-53,57,63-65,69H2,1-8H3,(H,142,165)(H,143,166)(H,144,167)(H,146,169)(H,145,162,168)(H,147,164,170)/t71?,72-,75-,79?,80+,81-,84?,85?,98-,101?,102?,103?,109?/m0/s1
• InChIKey: WSUMUJVLZGOEAR-LLGANHFLSA-N
• XLogP: 17.40
• TPSA: 482.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.65
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155448707) is N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCO[C@@H](CCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)cc2cc1NC(=O)c1cc(OC(C)(C)c2cc3nn([C@@H]4CC[C@@H](CN(C)CCCC#Cc5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)C(C5C[C@@H](CN6CCC(Cc7cccc8c7n(C)c(=O)n8C7CCC(O)NC7=O)CC6)CC[C@@H]5n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(C)(C)O)cc6n5)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)cc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is WSUMUJVLZGOEAR-LLGANHFLSA-N. The full InChI is InChI=1S/C128H139F9N24O17/c1-124(2,175)86-60-91-77(54-94(86)142-114(165)89-24-15-28-105(139-89)126(129,130)131)68-158(150-91)98-37-32-72(64-154-48-44-70(45-49-154)52-74-20-13-27-100-113(74)153(7)123(174)160(100)102-39-42-109(163)146-118(102)169)53-85(98)84-57-80(36-33-75(84)65-151(5)47-11-9-10-18-73-19-12-26-99-112(73)152(6)122(173)159(99)101-38-41-108(162)145-117(101)168)157-67-76-55-95(143-115(166)90-25-16-29-106(140-90)127(132,133)134)87(61-92(76)148-157)125(3,4)178-82-58-97(141-107(59-82)128(135,136)137)116(167)144-96-56-78-66-156(149-93(78)62-104(96)176-8)79-34-30-71(31-35-79)63-155-50-51-177-81(69-155)21-17-46-138-88-23-14-22-83-111(88)121(172)161(120(83)171)103-40-43-110(164)147-119(103)170/h12-16,19-20,22-29,54-56,58-62,66-68,70-72,75,79-81,84-85,98,101-103,109,138,163,175H,9,11,17,21,30-53,57,63-65,69H2,1-8H3,(H,142,165)(H,143,166)(H,144,167)(H,146,169)(H,145,162,168)(H,147,164,170)/t71?,72-,75-,79?,80+,81-,84?,85?,98-,101?,102?,103?,109?/m0/s1.

What are the key properties of N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2456.65 g/mol, XLogP of 17.40, 34 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(2S)-2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]morpholin-4-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-4-[2-[2-[(1R,4R)-4-[[5-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]pent-4-ynyl-methylamino]methyl]-3-[(2S,5S)-5-[[4-[[1-(6-hydroxy-2-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-1-yl]methyl]-2-[6-(2-hydroxypropan-2-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propan-2-yloxy]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155448707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).