N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

C31H24N4O4 — CID 146209217

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C31H24N4O4/c1-39-24-9-5-7-21(16-24)28(18-35-30(37)25-10-2-3-11-26(25)31(35)38)33-29(36)22-8-4-6-19(14-22)20-12-13-27-23(15-20)17-32-34-27/h2-17,28H,18H2,1H3,(H,32,34)(H,33,36)
InChIKeyZUFRLSUBRSILAR-UHFFFAOYSA-N
MW516.56 g/mol
LogP5.01
Rot. Bonds7

About N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146209217) has the molecular formula C31H24N4O4 and a molecular weight of 516.56 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146209217
Molecular FormulaC31H24N4O4
Molecular Weight516.56 g/mol
Exact Mass516.18
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C31H24N4O4/c1-39-24-9-5-7-21(16-24)28(18-35-30(37)25-10-2-3-11-26(25)31(35)38)33-29(36)22-8-4-6-19(14-22)20-12-13-27-23(15-20)17-32-34-27/h2-17,28H,18H2,1H3,(H,32,34)(H,33,36)
InChIKeyZUFRLSUBRSILAR-UHFFFAOYSA-N
XLogP5.01
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (CID 146209217) is N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is COc1cccc(C(CN2C(=O)c3ccccc3C2=O)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is ZUFRLSUBRSILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O4/c1-39-24-9-5-7-21(16-24)28(18-35-30(37)25-10-2-3-11-26(25)31(35)38)33-29(36)22-8-4-6-19(14-22)20-12-13-27-23(15-20)17-32-34-27/h2-17,28H,18H2,1H3,(H,32,34)(H,33,36).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 516.56 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).