N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C90H94F6N18O11 — CID 155449287

About N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155449287) has the molecular formula C90H94F6N18O11 and a molecular weight of 1717.84 g/mol. Its IUPAC name is N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155449287
• Molecular Formula: C90H94F6N18O11
• Molecular Weight: 1717.84 g/mol
• Exact Mass: 1716.73
• IUPAC Name: N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CN(Cc1ccc(-n2cc3cc(NC(=O)c4cc(CC(C)(O)c5cc6nn(-c7ccc(CN8CCC9(CC8)CN(Cc8cccc%10c8n(C)c(=O)n%10C8CCC(=O)NC8O)CCO9)cc7)cc6cc5NC(=O)c5cccc(C(F)(F)F)n5)cc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)cc1)C1CCN(Cc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1
• InChI: InChI=1S/C90H94F6N18O11/c1-86(2,123)62-42-65-57(49-111(103-65)60-20-16-52(17-21-60)45-105(4)59-28-32-108(33-29-59)47-55-10-7-13-70-78(55)106(5)84(121)113(70)72-24-26-76(115)101-82(72)119)40-67(62)99-81(118)69-38-54(39-75(98-69)90(94,95)96)44-87(3,124)63-43-66-58(41-68(63)100-80(117)64-12-9-15-74(97-64)89(91,92)93)50-112(104-66)61-22-18-53(19-23-61)46-109-34-30-88(31-35-109)51-110(36-37-125-88)48-56-11-8-14-71-79(56)107(6)85(122)114(71)73-25-27-77(116)102-83(73)120/h7-23,38-43,49-50,59,72-73,83,120,123-124H,24-37,44-48,51H2,1-6H3,(H,99,118)(H,100,117)(H,102,116)(H,101,115,119)
• InChIKey: HUFNYKVBDLRIII-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 331.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1717.84
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155449287) is N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN(Cc1ccc(-n2cc3cc(NC(=O)c4cc(CC(C)(O)c5cc6nn(-c7ccc(CN8CCC9(CC8)CN(Cc8cccc%10c8n(C)c(=O)n%10C8CCC(=O)NC8O)CCO9)cc7)cc6cc5NC(=O)c5cccc(C(F)(F)F)n5)cc(C(F)(F)F)n4)c(C(C)(C)O)cc3n2)cc1)C1CCN(Cc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1.

What is the InChIKey of N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is HUFNYKVBDLRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H94F6N18O11/c1-86(2,123)62-42-65-57(49-111(103-65)60-20-16-52(17-21-60)45-105(4)59-28-32-108(33-29-59)47-55-10-7-13-70-78(55)106(5)84(121)113(70)72-24-26-76(115)101-82(72)119)40-67(62)99-81(118)69-38-54(39-75(98-69)90(94,95)96)44-87(3,124)63-43-66-58(41-68(63)100-80(117)64-12-9-15-74(97-64)89(91,92)93)50-112(104-66)61-22-18-53(19-23-61)46-109-34-30-88(31-35-109)51-110(36-37-125-88)48-56-11-8-14-71-79(56)107(6)85(122)114(71)73-25-27-77(116)102-83(73)120/h7-23,38-43,49-50,59,72-73,83,120,123-124H,24-37,44-48,51H2,1-6H3,(H,99,118)(H,100,117)(H,102,116)(H,101,115,119).

What are the key properties of N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1717.84 g/mol, XLogP of 10.39, 21 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]phenyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-4-[2-hydroxy-2-[2-[4-[[4-[[1-(2-hydroxy-6-oxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155449287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).