N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C38H41F3N8O6 — CID 177376821

IUPACN-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCCCNCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C38H41F3N8O6/c1-37(2,55)24-20-27-22(19-28(24)45-33(51)26-11-7-12-30(44-26)38(39,40)41)21-48(47-27)18-5-3-4-15-42-16-8-17-43-25-10-6-9-23-32(25)36(54)49(35(23)53)29-13-14-31(50)46-34(29)52/h6-7,9-12,19-21,29,42-43,55H,3-5,8,13-18H2,1-2H3,(H,45,51)(H,46,50,52)
InChIKeyRKDBBXGRXIYXMB-UHFFFAOYSA-N
MW762.79 g/mol
LogP4.59
Rot. Bonds15

About N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 177376821) has the molecular formula C38H41F3N8O6 and a molecular weight of 762.79 g/mol. Its IUPAC name is N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID177376821
Molecular FormulaC38H41F3N8O6
Molecular Weight762.79 g/mol
Exact Mass762.31
IUPAC NameN-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCCCCNCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C38H41F3N8O6/c1-37(2,55)24-20-27-22(19-28(24)45-33(51)26-11-7-12-30(44-26)38(39,40)41)21-48(47-27)18-5-3-4-15-42-16-8-17-43-25-10-6-9-23-32(25)36(54)49(35(23)53)29-13-14-31(50)46-34(29)52/h6-7,9-12,19-21,29,42-43,55H,3-5,8,13-18H2,1-2H3,(H,45,51)(H,46,50,52)
InChIKeyRKDBBXGRXIYXMB-UHFFFAOYSA-N
XLogP4.59
TPSA187.65 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.79
LogP ≤ 54.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 177376821) is N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCCCCNCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RKDBBXGRXIYXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41F3N8O6/c1-37(2,55)24-20-27-22(19-28(24)45-33(51)26-11-7-12-30(44-26)38(39,40)41)21-48(47-27)18-5-3-4-15-42-16-8-17-43-25-10-6-9-23-32(25)36(54)49(35(23)53)29-13-14-31(50)46-34(29)52/h6-7,9-12,19-21,29,42-43,55H,3-5,8,13-18H2,1-2H3,(H,45,51)(H,46,50,52).
What are the key properties of N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 762.79 g/mol, XLogP of 4.59, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]pentyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 177376821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).