5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione

C26H24N6O2 — CID 169377026

IUPAC5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
SMILESNC1=NC2(CCCCC2)N(c2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)C(N)=N1
InChIInChI=1S/C26H24N6O2/c27-24-29-25(28)32(26(30-24)12-4-1-5-13-26)19-10-11-20-21(15-19)23(34)31(22(20)33)18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14-15H,1,4-5,12-13H2,(H4,27,28,29,30)
InChIKeyWJPZFWPRYLZGBT-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.75
Rot. Bonds2

About 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione

5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione (PubChem CID 169377026) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
PubChem CID169377026
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione
SMILESNC1=NC2(CCCCC2)N(c2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)C(N)=N1
InChIInChI=1S/C26H24N6O2/c27-24-29-25(28)32(26(30-24)12-4-1-5-13-26)19-10-11-20-21(15-19)23(34)31(22(20)33)18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14-15H,1,4-5,12-13H2,(H4,27,28,29,30)
InChIKeyWJPZFWPRYLZGBT-UHFFFAOYSA-N
XLogP3.75
TPSA117.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2H-isoquinolin-1-one
CID 169377722
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
2-cyclopropyl-5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3H-isoindol-1-one
CID 169376432
2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione
CID 168514746
5-(4-methoxy-3-phenylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374737
7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 169375723
6-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2,2-dimethyl-3H-chromen-4-one
CID 169375778
4-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 169377651
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-3-(4-phenyltriazol-1-yl)chromen-2-one
CID 169373991
5-(4-tritylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378313
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 169375125

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione?
The IUPAC name of 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione (CID 169377026) is 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione is NC1=NC2(CCCCC2)N(c2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)C(N)=N1.
What is the InChIKey of 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione?
The InChIKey is WJPZFWPRYLZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c27-24-29-25(28)32(26(30-24)12-4-1-5-13-26)19-10-11-20-21(15-19)23(34)31(22(20)33)18-9-8-16-6-2-3-7-17(16)14-18/h2-3,6-11,14-15H,1,4-5,12-13H2,(H4,27,28,29,30).
What are the key properties of 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione?
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione has a molecular weight of 452.52 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-naphthalen-2-ylisoindole-1,3-dione is sourced from PubChem (CID 169377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).