3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

C24H19ClN4O2 — CID 15952078

IUPAC3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCN(C)Cc1ccc2ccc(Cl)c(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c2c1
InChIInChI=1S/C24H19ClN4O2/c1-28(2)13-14-6-7-15-8-9-17(25)20(16(15)11-14)22-21(23(30)27-24(22)31)18-12-26-19-5-3-4-10-29(18)19/h3-12H,13H2,1-2H3,(H,27,30,31)
InChIKeyMQJOFFBBMVEAGP-UHFFFAOYSA-N
MW430.90 g/mol
LogP3.77
Rot. Bonds4

About 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (PubChem CID 15952078) has the molecular formula C24H19ClN4O2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
PubChem CID15952078
Molecular FormulaC24H19ClN4O2
Molecular Weight430.90 g/mol
Exact Mass430.12
IUPAC Name3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione
SMILESCN(C)Cc1ccc2ccc(Cl)c(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c2c1
InChIInChI=1S/C24H19ClN4O2/c1-28(2)13-14-6-7-15-8-9-17(25)20(16(15)11-14)22-21(23(30)27-24(22)31)18-12-26-19-5-3-4-10-29(18)19/h3-12H,13H2,1-2H3,(H,27,30,31)
InChIKeyMQJOFFBBMVEAGP-UHFFFAOYSA-N
XLogP3.77
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione 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 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The IUPAC name of 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione (CID 15952078) is 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is CN(C)Cc1ccc2ccc(Cl)c(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
The InChIKey is MQJOFFBBMVEAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O2/c1-28(2)13-14-6-7-15-8-9-17(25)20(16(15)11-14)22-21(23(30)27-24(22)31)18-12-26-19-5-3-4-10-29(18)19/h3-12H,13H2,1-2H3,(H,27,30,31).
What are the key properties of 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione?
3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione has a molecular weight of 430.90 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione is sourced from PubChem (CID 15952078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).