N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide

C25H24N4O4 — CID 177188184

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c(C)c2c1
InChIInChI=1S/C25H24N4O4/c1-12-8-13(2)21-18(9-12)14(3)22(28-21)24(32)26-16-4-5-17-15(10-16)11-29(25(17)33)19-6-7-20(30)27-23(19)31/h4-5,8-10,19,28H,6-7,11H2,1-3H3,(H,26,32)(H,27,30,31)
InChIKeyLBRPUGMFIMBIOG-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.11
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide (PubChem CID 177188184) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
PubChem CID177188184
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c(C)c2c1
InChIInChI=1S/C25H24N4O4/c1-12-8-13(2)21-18(9-12)14(3)22(28-21)24(32)26-16-4-5-17-15(10-16)11-29(25(17)33)19-6-7-20(30)27-23(19)31/h4-5,8-10,19,28H,6-7,11H2,1-3H3,(H,26,32)(H,27,30,31)
InChIKeyLBRPUGMFIMBIOG-UHFFFAOYSA-N
XLogP3.11
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4,5-dimethyl-1H-pyrrole-2-carboxamide
CID 177188047
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methyl-1H-indole-2-carboxamide
CID 177188028
4-acetyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 177188105
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methyl-1H-indole-2-carboxamide
CID 177187982
5-acetamido-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188021
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
3-cyano-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1H-pyrrole-2-carboxamide
CID 177187855
6-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-ethyl-1H-indole-2-carboxamide
CID 177188070
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-propan-2-yl-1H-imidazole-2-carboxamide
CID 177187832
3-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 177188016
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-methylpiperidine-1-carboxamide
CID 176766864

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide (CID 177188184) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c(C)c2c1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
The InChIKey is LBRPUGMFIMBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-12-8-13(2)21-18(9-12)14(3)22(28-21)24(32)26-16-4-5-17-15(10-16)11-29(25(17)33)19-6-7-20(30)27-23(19)31/h4-5,8-10,19,28H,6-7,11H2,1-3H3,(H,26,32)(H,27,30,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,5,7-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177188184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).