4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione

C22H17N5O4 — CID 20806037

IUPAC4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione
SMILESCOc1ccc(-c2cc3nccn3c(Nc3cccc4c3C(=O)NC4=O)n2)cc1OC
InChIInChI=1S/C22H17N5O4/c1-30-16-7-6-12(10-17(16)31-2)15-11-18-23-8-9-27(18)22(25-15)24-14-5-3-4-13-19(14)21(29)26-20(13)28/h3-11H,1-2H3,(H,24,25)(H,26,28,29)
InChIKeyOBYUFWHHWLZFPE-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.04
Rot. Bonds5

About 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione

4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione (PubChem CID 20806037) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione
PubChem CID20806037
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione
SMILESCOc1ccc(-c2cc3nccn3c(Nc3cccc4c3C(=O)NC4=O)n2)cc1OC
InChIInChI=1S/C22H17N5O4/c1-30-16-7-6-12(10-17(16)31-2)15-11-18-23-8-9-27(18)22(25-15)24-14-5-3-4-13-19(14)21(29)26-20(13)28/h3-11H,1-2H3,(H,24,25)(H,26,28,29)
InChIKeyOBYUFWHHWLZFPE-UHFFFAOYSA-N
XLogP3.04
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione?
The IUPAC name of 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione (CID 20806037) is 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione is COc1ccc(-c2cc3nccn3c(Nc3cccc4c3C(=O)NC4=O)n2)cc1OC.
What is the InChIKey of 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione?
The InChIKey is OBYUFWHHWLZFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-30-16-7-6-12(10-17(16)31-2)15-11-18-23-8-9-27(18)22(25-15)24-14-5-3-4-13-19(14)21(29)26-20(13)28/h3-11H,1-2H3,(H,24,25)(H,26,28,29).
What are the key properties of 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione?
4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione has a molecular weight of 415.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 20806037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).