2-(3-indazol-1-ylpropyl)isoindole-1,3-dione

C18H15N3O2 — CID 19914595

IUPAC2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1ncc2ccccc21
InChIInChI=1S/C18H15N3O2/c22-17-14-7-2-3-8-15(14)18(23)20(17)10-5-11-21-16-9-4-1-6-13(16)12-19-21/h1-4,6-9,12H,5,10-11H2
InChIKeyGUZYHXQIMVUMOX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione

2-(3-indazol-1-ylpropyl)isoindole-1,3-dione (PubChem CID 19914595) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
PubChem CID19914595
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1ncc2ccccc21
InChIInChI=1S/C18H15N3O2/c22-17-14-7-2-3-8-15(14)18(23)20(17)10-5-11-21-16-9-4-1-6-13(16)12-19-21/h1-4,6-9,12H,5,10-11H2
InChIKeyGUZYHXQIMVUMOX-UHFFFAOYSA-N
XLogP2.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobutyl)indazole
CID 62140548
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione
CID 56604598
6-indazol-1-yl-2,2-dimethylhexanoic acid
CID 106714165
3-indazol-1-ylpropanoate
CID 5147223
2-(3-indazol-1-ylpropyl)-3,4-dihydro-1H-isoquinoline
CID 10732340
6-indazol-1-ylhexan-3-amine
CID 106800346
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
CID 14662143
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825

Frequently Asked Questions

What is the IUPAC name of 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione (CID 19914595) is 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1ncc2ccccc21.
What is the InChIKey of 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione?
The InChIKey is GUZYHXQIMVUMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-14-7-2-3-8-15(14)18(23)20(17)10-5-11-21-16-9-4-1-6-13(16)12-19-21/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione?
2-(3-indazol-1-ylpropyl)isoindole-1,3-dione has a molecular weight of 305.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indazol-1-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 19914595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).