N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

C46H55FN8O6 — CID 155449322

IUPACN-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
SMILESCN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)F)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C46H55FN8O6/c1-45(2,47)38-11-7-10-34(49-38)41(57)50-36-22-27-25-54(52-35(27)23-32(36)46(3,4)61)30-16-12-26(13-17-30)24-53(5)29-18-14-28(15-19-29)48-33-9-6-8-31-40(33)44(60)55(43(31)59)37-20-21-39(56)51-42(37)58/h6-11,22-23,25-26,28-30,37,48,61H,12-21,24H2,1-5H3,(H,50,57)(H,51,56,58)
InChIKeyVOPRKZMOJCPQLV-UHFFFAOYSA-N
MW834.99 g/mol
LogP6.60
Rot. Bonds11

About N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (PubChem CID 155449322) has the molecular formula C46H55FN8O6 and a molecular weight of 834.99 g/mol. Its IUPAC name is N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
PubChem CID155449322
Molecular FormulaC46H55FN8O6
Molecular Weight834.99 g/mol
Exact Mass834.42
IUPAC NameN-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
SMILESCN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)F)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C46H55FN8O6/c1-45(2,47)38-11-7-10-34(49-38)41(57)50-36-22-27-25-54(52-35(27)23-32(36)46(3,4)61)30-16-12-26(13-17-30)24-53(5)29-18-14-28(15-19-29)48-33-9-6-8-31-40(33)44(60)55(43(31)59)37-20-21-39(56)51-42(37)58/h6-11,22-23,25-26,28-30,37,48,61H,12-21,24H2,1-5H3,(H,50,57)(H,51,56,58)
InChIKeyVOPRKZMOJCPQLV-UHFFFAOYSA-N
XLogP6.60
TPSA178.86 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.99
LogP ≤ 56.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (CID 155449322) is N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is CN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)F)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The InChIKey is VOPRKZMOJCPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55FN8O6/c1-45(2,47)38-11-7-10-34(49-38)41(57)50-36-22-27-25-54(52-35(27)23-32(36)46(3,4)61)30-16-12-26(13-17-30)24-53(5)29-18-14-28(15-19-29)48-33-9-6-8-31-40(33)44(60)55(43(31)59)37-20-21-39(56)51-42(37)58/h6-11,22-23,25-26,28-30,37,48,61H,12-21,24H2,1-5H3,(H,50,57)(H,51,56,58).
What are the key properties of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide has a molecular weight of 834.99 g/mol, XLogP of 6.60, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).