2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide

C21H15N5O5 — CID 164946917

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nc12
InChIInChI=1S/C21H15N5O5/c22-18(28)12-5-1-3-10-9-25(24-17(10)12)13-6-2-4-11-16(13)21(31)26(20(11)30)14-7-8-15(27)23-19(14)29/h1-6,9,14H,7-8H2,(H2,22,28)(H,23,27,29)
InChIKeyHRZMFKDVIIZTLW-UHFFFAOYSA-N
MW417.38 g/mol
LogP0.53
Rot. Bonds3

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide (PubChem CID 164946917) has the molecular formula C21H15N5O5 and a molecular weight of 417.38 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide
PubChem CID164946917
Molecular FormulaC21H15N5O5
Molecular Weight417.38 g/mol
Exact Mass417.11
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nc12
InChIInChI=1S/C21H15N5O5/c22-18(28)12-5-1-3-10-9-25(24-17(10)12)13-6-2-4-11-16(13)21(31)26(20(11)30)14-7-8-15(27)23-19(14)29/h1-6,9,14H,7-8H2,(H2,22,28)(H,23,27,29)
InChIKeyHRZMFKDVIIZTLW-UHFFFAOYSA-N
XLogP0.53
TPSA144.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 164717184
2-[4-[(3S)-1-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 168872195
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-4-(3-oxoazetidin-1-yl)isoindole-1,3-dione
CID 166143101
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 167431824
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
4-(4-deuteriopiperazin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175829262
2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]imidazol-1-yl]acetamide
CID 175911899
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide (CID 164946917) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nc12.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide?
The InChIKey is HRZMFKDVIIZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O5/c22-18(28)12-5-1-3-10-9-25(24-17(10)12)13-6-2-4-11-16(13)21(31)26(20(11)30)14-7-8-15(27)23-19(14)29/h1-6,9,14H,7-8H2,(H2,22,28)(H,23,27,29).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide?
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]indazole-7-carboxamide is sourced from PubChem (CID 164946917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).