3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide

C38H41N11O6 — CID 146485143

IUPAC3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CC6(C5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)cc4)n3)C2)C1=O
InChIInChI=1S/C38H41N11O6/c1-44-13-14-48(37(44)55)25-3-2-12-45(17-25)29-16-40-31(32(39)51)33(42-29)41-22-4-6-23(7-5-22)46-18-38(19-46)20-47(21-38)24-8-9-26-27(15-24)36(54)49(35(26)53)28-10-11-30(50)43-34(28)52/h4-9,15-16,25,28H,2-3,10-14,17-21H2,1H3,(H2,39,51)(H,41,42)(H,43,50,52)/t25-,28?/m1/s1
InChIKeyZLZHJUUEUPUMNH-RXVAYIKUSA-N
MW747.82 g/mol
LogP1.38
Rot. Bonds8

About 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide

3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 146485143) has the molecular formula C38H41N11O6 and a molecular weight of 747.82 g/mol. Its IUPAC name is 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID146485143
Molecular FormulaC38H41N11O6
Molecular Weight747.82 g/mol
Exact Mass747.32
IUPAC Name3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CC6(C5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)cc4)n3)C2)C1=O
InChIInChI=1S/C38H41N11O6/c1-44-13-14-48(37(44)55)25-3-2-12-45(17-25)29-16-40-31(32(39)51)33(42-29)41-22-4-6-23(7-5-22)46-18-38(19-46)20-47(21-38)24-8-9-26-27(15-24)36(54)49(35(26)53)28-10-11-30(50)43-34(28)52/h4-9,15-16,25,28H,2-3,10-14,17-21H2,1H3,(H2,39,51)(H,41,42)(H,43,50,52)/t25-,28?/m1/s1
InChIKeyZLZHJUUEUPUMNH-RXVAYIKUSA-N
XLogP1.38
TPSA197.72 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.82
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide (CID 146485143) is 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide is CN1CCN([C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4ccc(N5CC6(C5)CN(c5ccc7c(c5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)cc4)n3)C2)C1=O.
What is the InChIKey of 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is ZLZHJUUEUPUMNH-RXVAYIKUSA-N. The full InChI is InChI=1S/C38H41N11O6/c1-44-13-14-48(37(44)55)25-3-2-12-45(17-25)29-16-40-31(32(39)51)33(42-29)41-22-4-6-23(7-5-22)46-18-38(19-46)20-47(21-38)24-8-9-26-27(15-24)36(54)49(35(26)53)28-10-11-30(50)43-34(28)52/h4-9,15-16,25,28H,2-3,10-14,17-21H2,1H3,(H2,39,51)(H,41,42)(H,43,50,52)/t25-,28?/m1/s1.
What are the key properties of 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide?
3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 747.82 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptan-6-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146485143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).