4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide

C43H42N8O5 — CID 177377554

IUPAC4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C43H42N8O5/c1-24-18-28(8-10-31(24)41(54)48(2)3)34-20-44-39-38(34)46-35(21-45-39)27-6-4-25(5-7-27)26-14-16-49(17-15-26)30-22-50(23-30)29-9-11-32-33(19-29)43(56)51(42(32)55)36-12-13-37(52)47-40(36)53/h4-11,18-21,26,30,36H,12-17,22-23H2,1-3H3,(H,44,45)(H,47,52,53)
InChIKeyLXGXWTBAJXFYLG-UHFFFAOYSA-N
MW750.86 g/mol
LogP4.77
Rot. Bonds7

About 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide

4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide (PubChem CID 177377554) has the molecular formula C43H42N8O5 and a molecular weight of 750.86 g/mol. Its IUPAC name is 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
PubChem CID177377554
Molecular FormulaC43H42N8O5
Molecular Weight750.86 g/mol
Exact Mass750.33
IUPAC Name4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)nc23)ccc1C(=O)N(C)C
InChIInChI=1S/C43H42N8O5/c1-24-18-28(8-10-31(24)41(54)48(2)3)34-20-44-39-38(34)46-35(21-45-39)27-6-4-25(5-7-27)26-14-16-49(17-15-26)30-22-50(23-30)29-9-11-32-33(19-29)43(56)51(42(32)55)36-12-13-37(52)47-40(36)53/h4-11,18-21,26,30,36H,12-17,22-23H2,1-3H3,(H,44,45)(H,47,52,53)
InChIKeyLXGXWTBAJXFYLG-UHFFFAOYSA-N
XLogP4.77
TPSA151.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500750.86
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide (CID 177377554) is 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide is Cc1cc(-c2c[nH]c3ncc(-c4ccc(C5CCN(C6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)cc4)nc23)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
The InChIKey is LXGXWTBAJXFYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N8O5/c1-24-18-28(8-10-31(24)41(54)48(2)3)34-20-44-39-38(34)46-35(21-45-39)27-6-4-25(5-7-27)26-14-16-49(17-15-26)30-22-50(23-30)29-9-11-32-33(19-29)43(56)51(42(32)55)36-12-13-37(52)47-40(36)53/h4-11,18-21,26,30,36H,12-17,22-23H2,1-3H3,(H,44,45)(H,47,52,53).
What are the key properties of 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide?
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide has a molecular weight of 750.86 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 177377554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).