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

C47H57FN8O6 — CID 155449324

IUPACN-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C47H57FN8O6/c1-46(2,48)39-11-7-10-35(50-39)42(58)51-37-22-29-26-55(53-36(29)23-33(37)47(3,4)62)31-18-14-28(15-19-31)25-54(5)30-16-12-27(13-17-30)24-49-34-9-6-8-32-41(34)45(61)56(44(32)60)38-20-21-40(57)52-43(38)59/h6-11,22-23,26-28,30-31,38,49,62H,12-21,24-25H2,1-5H3,(H,51,58)(H,52,57,59)
InChIKeyNKMZCHPLJCSTPM-UHFFFAOYSA-N
MW849.02 g/mol
LogP6.85
Rot. Bonds12

About N-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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]methyl]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (PubChem CID 155449324) has the molecular formula C47H57FN8O6 and a molecular weight of 849.02 g/mol. Its IUPAC name is N-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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]methyl]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
PubChem CID155449324
Molecular FormulaC47H57FN8O6
Molecular Weight849.02 g/mol
Exact Mass848.44
IUPAC NameN-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C47H57FN8O6/c1-46(2,48)39-11-7-10-35(50-39)42(58)51-37-22-29-26-55(53-36(29)23-33(37)47(3,4)62)31-18-14-28(15-19-31)25-54(5)30-16-12-27(13-17-30)24-49-34-9-6-8-32-41(34)45(61)56(44(32)60)38-20-21-40(57)52-43(38)59/h6-11,22-23,26-28,30-31,38,49,62H,12-21,24-25H2,1-5H3,(H,51,58)(H,52,57,59)
InChIKeyNKMZCHPLJCSTPM-UHFFFAOYSA-N
XLogP6.85
TPSA178.86 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.02
LogP ≤ 56.85
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]methyl]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]methyl]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]methyl]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (CID 155449324) is N-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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]methyl]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]methyl]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(CNc2cccc3c2C(=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]methyl]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The InChIKey is NKMZCHPLJCSTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H57FN8O6/c1-46(2,48)39-11-7-10-35(50-39)42(58)51-37-22-29-26-55(53-36(29)23-33(37)47(3,4)62)31-18-14-28(15-19-31)25-54(5)30-16-12-27(13-17-30)24-49-34-9-6-8-32-41(34)45(61)56(44(32)60)38-20-21-40(57)52-43(38)59/h6-11,22-23,26-28,30-31,38,49,62H,12-21,24-25H2,1-5H3,(H,51,58)(H,52,57,59).
What are the key properties of N-[2-[4-[[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]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]methyl]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 849.02 g/mol, XLogP of 6.85, 12 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]methyl]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 155449324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).